N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C12H12N6OS — CID 122644481

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H12N6OS/c1-7-9(5-18(2)17-7)15-11(19)10-6-20-12(16-10)8-3-13-14-4-8/h3-6H,1-2H3,(H,13,14)(H,15,19)
InChIKeyZDMXYCCTZADSAM-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.83
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122644481) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122644481
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H12N6OS/c1-7-9(5-18(2)17-7)15-11(19)10-6-20-12(16-10)8-3-13-14-4-8/h3-6H,1-2H3,(H,13,14)(H,15,19)
InChIKeyZDMXYCCTZADSAM-UHFFFAOYSA-N
XLogP1.83
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122644481) is N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1nn(C)cc1NC(=O)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZDMXYCCTZADSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-7-9(5-18(2)17-7)15-11(19)10-6-20-12(16-10)8-3-13-14-4-8/h3-6H,1-2H3,(H,13,14)(H,15,19).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 288.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122644481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).