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

C12H11N3O3S — CID 60725191

IUPAC5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1csc(CNC(=O)c2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C12H11N3O3S/c1-7-6-19-10(15-7)5-14-11(16)8-2-3-9(12(17)18)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyHYCXKTCPIHLIQM-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.47
Rot. Bonds4

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

5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 60725191) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID60725191
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1csc(CNC(=O)c2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C12H11N3O3S/c1-7-6-19-10(15-7)5-14-11(16)8-2-3-9(12(17)18)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyHYCXKTCPIHLIQM-UHFFFAOYSA-N
XLogP1.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 60725191) is 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid is Cc1csc(CNC(=O)c2ccc(C(=O)O)nc2)n1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HYCXKTCPIHLIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-6-19-10(15-7)5-14-11(16)8-2-3-9(12(17)18)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 60725191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).