4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide

C13H7ClF5N3O2S — CID 121437488

IUPAC4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1snc(NC(=O)C(F)(F)F)c1Cl
InChIInChI=1S/C13H7ClF5N3O2S/c14-8-9(25-22-10(8)21-12(24)13(17,18)19)11(23)20-4-5-6(15)2-1-3-7(5)16/h1-3H,4H2,(H,20,23)(H,21,22,24)
InChIKeySDGIEXCXFPCMHF-UHFFFAOYSA-N
MW399.73 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide

4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide (PubChem CID 121437488) has the molecular formula C13H7ClF5N3O2S and a molecular weight of 399.73 g/mol. Its IUPAC name is 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide
PubChem CID121437488
Molecular FormulaC13H7ClF5N3O2S
Molecular Weight399.73 g/mol
Exact Mass398.99
IUPAC Name4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1snc(NC(=O)C(F)(F)F)c1Cl
InChIInChI=1S/C13H7ClF5N3O2S/c14-8-9(25-22-10(8)21-12(24)13(17,18)19)11(23)20-4-5-6(15)2-1-3-7(5)16/h1-3H,4H2,(H,20,23)(H,21,22,24)
InChIKeySDGIEXCXFPCMHF-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.73
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[(2-chloro-6-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190403
N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807165
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331410
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
CID 110470956
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 77090847
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide (CID 121437488) is 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide is O=C(NCc1c(F)cccc1F)c1snc(NC(=O)C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide?
The InChIKey is SDGIEXCXFPCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5N3O2S/c14-8-9(25-22-10(8)21-12(24)13(17,18)19)11(23)20-4-5-6(15)2-1-3-7(5)16/h1-3H,4H2,(H,20,23)(H,21,22,24).
What are the key properties of 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide?
4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide has a molecular weight of 399.73 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 121437488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).