2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride

C18H13ClF3N3O3S — CID 87769243

IUPAC2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCc1cnccc1C(=O)Nc1nc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)s1.Cl
InChIInChI=1S/C18H12F3N3O3S.ClH/c1-9-8-22-6-5-12(9)15(25)24-17-23-13(16(26)27)14(28-17)10-3-2-4-11(7-10)18(19,20)21;/h2-8H,1H3,(H,26,27)(H,23,24,25);1H
InChIKeyJPUAQNHVAZQTGE-UHFFFAOYSA-N
MW443.83 g/mol
LogP4.90
Rot. Bonds4

About 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride

2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 87769243) has the molecular formula C18H13ClF3N3O3S and a molecular weight of 443.83 g/mol. Its IUPAC name is 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID87769243
Molecular FormulaC18H13ClF3N3O3S
Molecular Weight443.83 g/mol
Exact Mass443.03
IUPAC Name2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCc1cnccc1C(=O)Nc1nc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)s1.Cl
InChIInChI=1S/C18H12F3N3O3S.ClH/c1-9-8-22-6-5-12(9)15(25)24-17-23-13(16(26)27)14(28-17)10-3-2-4-11(7-10)18(19,20)21;/h2-8H,1H3,(H,26,27)(H,23,24,25);1H
InChIKeyJPUAQNHVAZQTGE-UHFFFAOYSA-N
XLogP4.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.83
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride 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

methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 86761875
methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 147548466
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;methyl 2-[(2,6-difluorobenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159602800
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2490363
N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 24765679
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 175845866
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride (CID 87769243) is 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride is Cc1cnccc1C(=O)Nc1nc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)s1.Cl.
What is the InChIKey of 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is JPUAQNHVAZQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3S.ClH/c1-9-8-22-6-5-12(9)15(25)24-17-23-13(16(26)27)14(28-17)10-3-2-4-11(7-10)18(19,20)21;/h2-8H,1H3,(H,26,27)(H,23,24,25);1H.
What are the key properties of 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 443.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 87769243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).