3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid

C12H12N4O3S — CID 104743483

IUPAC3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(Cc1cscn1)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H12N4O3S/c1-16(5-8-6-20-7-14-8)12(19)15-9-3-2-4-13-10(9)11(17)18/h2-4,6-7H,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyWMHWEISRWFYXPO-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.90
Rot. Bonds4

About 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743483) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743483
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(Cc1cscn1)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H12N4O3S/c1-16(5-8-6-20-7-14-8)12(19)15-9-3-2-4-13-10(9)11(17)18/h2-4,6-7H,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyWMHWEISRWFYXPO-UHFFFAOYSA-N
XLogP1.90
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
2-fluoro-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796209
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 62179926

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 104743483) is 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid is CN(Cc1cscn1)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is WMHWEISRWFYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-16(5-8-6-20-7-14-8)12(19)15-9-3-2-4-13-10(9)11(17)18/h2-4,6-7H,5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).