4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid

C10H12N4O2S — CID 80569708

IUPAC4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCCn2cccn2)sc1C(=O)O
InChIInChI=1S/C10H12N4O2S/c1-7-8(9(15)16)17-10(13-7)11-4-6-14-5-2-3-12-14/h2-3,5H,4,6H2,1H3,(H,11,13)(H,15,16)
InChIKeyBRMXAZGDBRUIAZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.46
Rot. Bonds5

About 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80569708) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80569708
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCCn2cccn2)sc1C(=O)O
InChIInChI=1S/C10H12N4O2S/c1-7-8(9(15)16)17-10(13-7)11-4-6-14-5-2-3-12-14/h2-3,5H,4,6H2,1H3,(H,11,13)(H,15,16)
InChIKeyBRMXAZGDBRUIAZ-UHFFFAOYSA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid (CID 80569708) is 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid is Cc1nc(NCCn2cccn2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BRMXAZGDBRUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-8(9(15)16)17-10(13-7)11-4-6-14-5-2-3-12-14/h2-3,5H,4,6H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80569708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).