4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide

C11H7F3N2OS — CID 19375948

IUPAC4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)8-5-18-10(16-8)9(15)17/h1-5H,(H2,15,17)
InChIKeyNJALRYLLCKMWGD-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.93
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide

4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 19375948) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID19375948
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)8-5-18-10(16-8)9(15)17/h1-5H,(H2,15,17)
InChIKeyNJALRYLLCKMWGD-UHFFFAOYSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
[[amino-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylidene]amino] 4-(trifluoromethyl)benzoate
CID 2744130
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61336288
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
3,3-dimethyl-2-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]butanal
CID 174721637

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide (CID 19375948) is 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide is NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NJALRYLLCKMWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)8-5-18-10(16-8)9(15)17/h1-5H,(H2,15,17).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 19375948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).