5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid

C19H16FN3O3S — CID 170511667

IUPAC5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid
SMILESCCc1csc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)O)nc3)c2)n1
InChIInChI=1S/C19H16FN3O3S/c1-2-15-10-27-17(23-15)9-22-18(24)13-5-12(6-14(20)7-13)11-3-4-16(19(25)26)21-8-11/h3-8,10H,2,9H2,1H3,(H,22,24)(H,25,26)
InChIKeyWFHVMJFGFRFIKP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.53
Rot. Bonds6

About 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid

5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid (PubChem CID 170511667) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid
PubChem CID170511667
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid
SMILESCCc1csc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)O)nc3)c2)n1
InChIInChI=1S/C19H16FN3O3S/c1-2-15-10-27-17(23-15)9-22-18(24)13-5-12(6-14(20)7-13)11-3-4-16(19(25)26)21-8-11/h3-8,10H,2,9H2,1H3,(H,22,24)(H,25,26)
InChIKeyWFHVMJFGFRFIKP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869241
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682
2-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380470
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid (CID 170511667) is 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid is CCc1csc(CNC(=O)c2cc(F)cc(-c3ccc(C(=O)O)nc3)c2)n1.
What is the InChIKey of 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid?
The InChIKey is WFHVMJFGFRFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-2-15-10-27-17(23-15)9-22-18(24)13-5-12(6-14(20)7-13)11-3-4-16(19(25)26)21-8-11/h3-8,10H,2,9H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid?
5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170511667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).