2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C13H14N6OS2 — CID 90991240

IUPAC2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2ccn(C)n2)n1
InChIInChI=1S/C13H14N6OS2/c1-7-6-21-13(14-7)17-11(20)10-12(22-8(2)15-10)16-9-4-5-19(3)18-9/h4-6H,1-3H3,(H,16,18)(H,14,17,20)
InChIKeyDQPHBEUVBMIINA-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 90991240) has the molecular formula C13H14N6OS2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID90991240
Molecular FormulaC13H14N6OS2
Molecular Weight334.43 g/mol
Exact Mass334.07
IUPAC Name2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2ccn(C)n2)n1
InChIInChI=1S/C13H14N6OS2/c1-7-6-21-13(14-7)17-11(20)10-12(22-8(2)15-10)16-9-4-5-19(3)18-9/h4-6H,1-3H3,(H,16,18)(H,14,17,20)
InChIKeyDQPHBEUVBMIINA-UHFFFAOYSA-N
XLogP2.95
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide 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 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 90991240) is 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1csc(NC(=O)c2nc(C)sc2Nc2ccn(C)n2)n1.
What is the InChIKey of 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DQPHBEUVBMIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS2/c1-7-6-21-13(14-7)17-11(20)10-12(22-8(2)15-10)16-9-4-5-19(3)18-9/h4-6H,1-3H3,(H,16,18)(H,14,17,20).
What are the key properties of 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90991240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).