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G7L : Summary
Code ![](/pdbe/static/images/help.png)
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G7L
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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-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
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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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C9 H9 F3 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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250.241 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C |
Canonical SMILES
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CACTVS |
3.385 |
CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZPJNBQRFMJDXHX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (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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2020-08-04
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Last modified at ![](/pdbe/static/images/help.png)
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2022-06-17
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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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