2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C12H11N3O4S — CID 63851851

IUPAC2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)c2cncc(O)c2)sc1C(=O)O
InChIInChI=1S/C12H11N3O4S/c1-6-10(12(18)19)20-9(15-6)5-14-11(17)7-2-8(16)4-13-3-7/h2-4,16H,5H2,1H3,(H,14,17)(H,18,19)
InChIKeyMSFCRWYROGSGNX-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.18
Rot. Bonds4

About 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63851851) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID63851851
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)c2cncc(O)c2)sc1C(=O)O
InChIInChI=1S/C12H11N3O4S/c1-6-10(12(18)19)20-9(15-6)5-14-11(17)7-2-8(16)4-13-3-7/h2-4,16H,5H2,1H3,(H,14,17)(H,18,19)
InChIKeyMSFCRWYROGSGNX-UHFFFAOYSA-N
XLogP1.18
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996
5-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 63858903
2-[[(2,5-dihydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107721667
4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114030962
2-[[(6-chloropyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628992
2-[[(3-aminobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629183
2-[[(6-methoxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629166
2-[[(3-amino-4-chlorobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629845
4-methyl-2-[[(5-methyl-3-pyridinyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 107586150
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 63851851) is 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)c2cncc(O)c2)sc1C(=O)O.
What is the InChIKey of 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MSFCRWYROGSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-6-10(12(18)19)20-9(15-6)5-14-11(17)7-2-8(16)4-13-3-7/h2-4,16H,5H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63851851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).