5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

C15H15N3O3S — CID 119138180

IUPAC5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1csc(C(NC(=O)c2ccc(C(=O)O)nc2)C2CC2)n1
InChIInChI=1S/C15H15N3O3S/c1-8-7-22-14(17-8)12(9-2-3-9)18-13(19)10-4-5-11(15(20)21)16-6-10/h4-7,9,12H,2-3H2,1H3,(H,18,19)(H,20,21)
InChIKeyQVWIZUFSQUMJEC-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.43
Rot. Bonds5

About 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid

5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119138180) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119138180
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1csc(C(NC(=O)c2ccc(C(=O)O)nc2)C2CC2)n1
InChIInChI=1S/C15H15N3O3S/c1-8-7-22-14(17-8)12(9-2-3-9)18-13(19)10-4-5-11(15(20)21)16-6-10/h4-7,9,12H,2-3H2,1H3,(H,18,19)(H,20,21)
InChIKeyQVWIZUFSQUMJEC-UHFFFAOYSA-N
XLogP2.43
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.43
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-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97073717
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 95934122
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 126788727
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111507979
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
CID 97008408
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
(Z)-3-(4-chlorophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4,4,4-trifluorobut-2-enamide
CID 75362849
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 99817793

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 119138180) is 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is Cc1csc(C(NC(=O)c2ccc(C(=O)O)nc2)C2CC2)n1.
What is the InChIKey of 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QVWIZUFSQUMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-8-7-22-14(17-8)12(9-2-3-9)18-13(19)10-4-5-11(15(20)21)16-6-10/h4-7,9,12H,2-3H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119138180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).