3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide

C12H16N4OS — CID 2805449

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide
SMILESCc1nc(C)c(-c2ccn(C(=O)NC(C)C)n2)s1
InChIInChI=1S/C12H16N4OS/c1-7(2)13-12(17)16-6-5-10(15-16)11-8(3)14-9(4)18-11/h5-7H,1-4H3,(H,13,17)
InChIKeyFWCSLWVLDQSQKH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.59
Rot. Bonds2

About 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 2805449) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID2805449
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide
SMILESCc1nc(C)c(-c2ccn(C(=O)NC(C)C)n2)s1
InChIInChI=1S/C12H16N4OS/c1-7(2)13-12(17)16-6-5-10(15-16)11-8(3)14-9(4)18-11/h5-7H,1-4H3,(H,13,17)
InChIKeyFWCSLWVLDQSQKH-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-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 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide (CID 2805449) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide is Cc1nc(C)c(-c2ccn(C(=O)NC(C)C)n2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is FWCSLWVLDQSQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)13-12(17)16-6-5-10(15-16)11-8(3)14-9(4)18-11/h5-7H,1-4H3,(H,13,17).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 2805449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).