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JFP : Summary
Code ![](/pdbe/static/images/help.png)
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JFP
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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-methyl-1,3-thiazol-2-yl)propanamide
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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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C7 H10 N2 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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170.232 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 |
CCC(=O)Nc1nc(cs1)C |
SMILES
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CACTVS |
3.385 |
CCC(=O)Nc1scc(C)n1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(=O)Nc1nc(cs1)C |
Canonical SMILES
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CACTVS |
3.385 |
CCC(=O)Nc1scc(C)n1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(=O)Nc1nc(cs1)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AIOZNYOAFODHNA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (11 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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2018-09-10
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Last modified at ![](/pdbe/static/images/help.png)
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2018-10-05
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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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