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

C12H11N3O3S — CID 55171882

IUPAC5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1ncsc1CNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H11N3O3S/c1-7-10(19-6-15-7)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)
InChIKeyWXOXEYOIOIZUNQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.47
Rot. Bonds4

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

5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 55171882) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID55171882
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1ncsc1CNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H11N3O3S/c1-7-10(19-6-15-7)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)
InChIKeyWXOXEYOIOIZUNQ-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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Related Compounds

4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 113429061
5-[(3-bromothiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 78925537
5-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104642763
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
CID 63280729
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 55171882) is 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid is Cc1ncsc1CNC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WXOXEYOIOIZUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-10(19-6-15-7)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-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
5-[(4-methyl-1,3-thiazol-5-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-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55171882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).