4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C12H9F3N2OS — CID 5297318

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2OS/c1-7-10(19-6-16-7)11(18)17-9-4-2-3-8(5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyCPVKZRWJCYVSBS-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.72
Rot. Bonds2

About 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 5297318) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID5297318
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2OS/c1-7-10(19-6-16-7)11(18)17-9-4-2-3-8(5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyCPVKZRWJCYVSBS-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

3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 154857502
N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555128
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
CID 21152450
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 5297318) is 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CPVKZRWJCYVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-7-10(19-6-16-7)11(18)17-9-4-2-3-8(5-9)12(13,14)15/h2-6H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide 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 4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5297318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).