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5G9 : Summary
Code ![](/pdbe/static/images/help.png)
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5G9
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C17 H11 Cl N4 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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338.814 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4 |
SMILES
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CACTVS |
3.385 |
Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 |
Canonical SMILES
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CACTVS |
3.385 |
Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JVXFJMXCRSAZFH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (23 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2015-09-22
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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