2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide

C9H10N4OS — CID 1497049

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(N)=O)cs2)n1
InChIInChI=1S/C9H10N4OS/c1-5-3-6(2)13(12-5)9-11-7(4-15-9)8(10)14/h3-4H,1-2H3,(H2,10,14)
InChIKeyWMSRHIXXCHRCAU-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.04
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 1497049) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID1497049
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(N)=O)cs2)n1
InChIInChI=1S/C9H10N4OS/c1-5-3-6(2)13(12-5)9-11-7(4-15-9)8(10)14/h3-4H,1-2H3,(H2,10,14)
InChIKeyWMSRHIXXCHRCAU-UHFFFAOYSA-N
XLogP1.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide (CID 1497049) is 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2nc(C(N)=O)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WMSRHIXXCHRCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-3-6(2)13(12-5)9-11-7(4-15-9)8(10)14/h3-4H,1-2H3,(H2,10,14).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).