2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C12H9F3N2OS — CID 18105647

IUPAC2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)7-16-10(18)9-6-19-11(17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,18)
InChIKeyAZPJZWMEMUEBGT-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.10
Rot. Bonds3

About 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 18105647) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID18105647
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)7-16-10(18)9-6-19-11(17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,18)
InChIKeyAZPJZWMEMUEBGT-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 146078617
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 18105647) is 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)F)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AZPJZWMEMUEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-12(14,15)7-16-10(18)9-6-19-11(17-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,18).
What are the key properties of 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18105647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).