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O0J : Summary
Code ![](/pdbe/static/images/help.png)
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O0J
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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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N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
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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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C11 H11 N3 O 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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233.29 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 |
Nc2nc(c1ccc(cc1)NC(C)=O)cs2 |
SMILES
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CACTVS |
3.385 |
CC(=O)Nc1ccc(cc1)c2csc(N)n2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)Nc1ccc(cc1)c2csc(n2)N |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)Nc1ccc(cc1)c2csc(N)n2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)Nc1ccc(cc1)c2csc(n2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VBBNSESFUHRMJU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (16 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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2019-06-04
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Last modified at ![](/pdbe/static/images/help.png)
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2019-08-16
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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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