N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide

C12H9F3N2OS — CID 4813517

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C12H9F3N2OS/c1-7-6-16-11(19-7)17-10(18)8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyLABIZARWGFOOKF-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.72
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 4813517) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID4813517
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C12H9F3N2OS/c1-7-6-16-11(19-7)17-10(18)8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyLABIZARWGFOOKF-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 60654812
2,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808227
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
2-(cyclopropylmethoxy)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 155944356

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide (CID 4813517) is N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide is Cc1cnc(NC(=O)c2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is LABIZARWGFOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-7-6-16-11(19-7)17-10(18)8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 286.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 4813517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).