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

C10H10N4O3S — CID 79402468

IUPAC5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2cnc[nH]2)c1C(=O)O
InChIInChI=1S/C10H10N4O3S/c1-5-7(10(16)17)9(18-13-5)14(2)8(15)6-3-11-4-12-6/h3-4H,1-2H3,(H,11,12)(H,16,17)
InChIKeyMTBUOOBVHZAHHT-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.15
Rot. Bonds3

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

5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402468) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402468
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2cnc[nH]2)c1C(=O)O
InChIInChI=1S/C10H10N4O3S/c1-5-7(10(16)17)9(18-13-5)14(2)8(15)6-3-11-4-12-6/h3-4H,1-2H3,(H,11,12)(H,16,17)
InChIKeyMTBUOOBVHZAHHT-UHFFFAOYSA-N
XLogP1.15
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-Imidazol-1-ylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869179
3-Methyl-5-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60869577
5-(1H-imidazole-5-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 65939541
5-[(2-ethyl-1H-imidazol-5-yl)sulfonyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397938
5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401881
5-[3-Imidazol-1-ylpropanoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402000
3-Methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylic acid
CID 79402067
5-(1-Imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402222
3-Methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79402452
3-methyl-5-[methyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402573
5-(2-Imidazol-1-ylethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402619
5-(4-Imidazol-1-ylbutylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402935

Frequently Asked Questions

What is the IUPAC name of 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402468) is 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)c2cnc[nH]2)c1C(=O)O.
What is the InChIKey of 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is MTBUOOBVHZAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-5-7(10(16)17)9(18-13-5)14(2)8(15)6-3-11-4-12-6/h3-4H,1-2H3,(H,11,12)(H,16,17).
What are the key properties of 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-imidazole-5-carbonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).