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

C10H12N4O2S — CID 62752778

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1cnn(C)c1)c1ncc(C(=O)O)s1
InChIInChI=1S/C10H12N4O2S/c1-13(5-7-3-12-14(2)6-7)10-11-4-8(17-10)9(15)16/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyACTXPVYMYXLRNB-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.21
Rot. Bonds4

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

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62752778) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62752778
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1cnn(C)c1)c1ncc(C(=O)O)s1
InChIInChI=1S/C10H12N4O2S/c1-13(5-7-3-12-14(2)6-7)10-11-4-8(17-10)9(15)16/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyACTXPVYMYXLRNB-UHFFFAOYSA-N
XLogP1.21
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-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

Related Compounds

5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697376
4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63916634
5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754993
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 118959240
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
CID 61440138
2-[methyl(pentyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752432
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 62752778) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is CN(Cc1cnn(C)c1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ACTXPVYMYXLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-13(5-7-3-12-14(2)6-7)10-11-4-8(17-10)9(15)16/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62752778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).