2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C17H18N4OS — CID 25284521

IUPAC2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)12-4-6-13(7-5-12)14-10-23-17(19-14)20-16(22)15-8-9-18-21(15)3/h4-11H,1-3H3,(H,19,20,22)
InChIKeyAKQVYXJOWVCRAW-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.92
Rot. Bonds4

About 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 25284521) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID25284521
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)12-4-6-13(7-5-12)14-10-23-17(19-14)20-16(22)15-8-9-18-21(15)3/h4-11H,1-3H3,(H,19,20,22)
InChIKeyAKQVYXJOWVCRAW-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 998879
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 998685
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 999259
N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 999515
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 5308269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 25284521) is 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CC(C)c1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is AKQVYXJOWVCRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)12-4-6-13(7-5-12)14-10-23-17(19-14)20-16(22)15-8-9-18-21(15)3/h4-11H,1-3H3,(H,19,20,22).
What are the key properties of 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 25284521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).