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Q2N : Summary
Code ![](/pdbe/static/images/help.png)
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Q2N
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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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2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
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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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C16 H12 F 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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313.349 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 |
Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F |
Canonical SMILES
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CACTVS |
3.385 |
Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)9-15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,20,21) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MILLBOMBXCCZHF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (22 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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2017-01-27
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Last modified at ![](/pdbe/static/images/help.png)
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2017-10-20
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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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