6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid

C19H16FN3O3S — CID 170513036

IUPAC6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid
SMILESCc1csc(CCNC(=O)c2cc(F)cc(-c3cccc(C(=O)O)n3)c2)n1
InChIInChI=1S/C19H16FN3O3S/c1-11-10-27-17(22-11)5-6-21-18(24)13-7-12(8-14(20)9-13)15-3-2-4-16(23-15)19(25)26/h2-4,7-10H,5-6H2,1H3,(H,21,24)(H,25,26)
InChIKeyRZXBEJFDJASTIV-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.32
Rot. Bonds6

About 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid

6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 170513036) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid
PubChem CID170513036
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid
SMILESCc1csc(CCNC(=O)c2cc(F)cc(-c3cccc(C(=O)O)n3)c2)n1
InChIInChI=1S/C19H16FN3O3S/c1-11-10-27-17(22-11)5-6-21-18(24)13-7-12(8-14(20)9-13)15-3-2-4-16(23-15)19(25)26/h2-4,7-10H,5-6H2,1H3,(H,21,24)(H,25,26)
InChIKeyRZXBEJFDJASTIV-UHFFFAOYSA-N
XLogP3.32
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid 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

3-[(3S)-3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]piperidin-1-yl]benzoic acid
CID 57392630
N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide
CID 46943505
N,N-diethyl-3-[2-[(4-fluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]benzamide
CID 46944195
N,N-diethyl-3-[2-(1-hydroxy-1-pyridin-4-ylethyl)-1,3-thiazol-4-yl]benzamide
CID 46948523
3-[2-[(3,4-difluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]-N,N-diethylbenzamide
CID 49778754
3-[2-[1-(3,4-difluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]-N,N-diethylbenzamide
CID 49790363
5-(3-fluoro-4-methylphenyl)-N-[(R)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[(2S)-piperidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 134132291
5-(3-fluoro-4-methylphenyl)-N-[(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-[(2S)-piperidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 134156642
N-[3-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]propyl]-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-2-carboxamide
CID 137631925
N-[3-(dimethylamino)-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]propyl]-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-2-carboxamide
CID 137633178
5-(4-fluoro-3-methylphenyl)-N-[1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-3-(methylamino)propyl]-1H-pyrrole-2-carboxamide
CID 137648123
3-[2-[(3-Amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]benzoic acid
CID 153311115

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid (CID 170513036) is 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid is Cc1csc(CCNC(=O)c2cc(F)cc(-c3cccc(C(=O)O)n3)c2)n1.
What is the InChIKey of 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is RZXBEJFDJASTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-11-10-27-17(22-11)5-6-21-18(24)13-7-12(8-14(20)9-13)15-3-2-4-16(23-15)19(25)26/h2-4,7-10H,5-6H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid?
6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170513036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).