2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide

C14H14N6O2S — CID 167882653

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)nc(-n2[nH]c(C(=O)Nc3nc(C)cs3)cc2=O)n1
InChIInChI=1S/C14H14N6O2S/c1-7-4-8(2)16-13(15-7)20-11(21)5-10(19-20)12(22)18-14-17-9(3)6-23-14/h4-6,19H,1-3H3,(H,17,18,22)
InChIKeyWMBNKEKBYRRBJZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.59
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide

2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 167882653) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID167882653
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)nc(-n2[nH]c(C(=O)Nc3nc(C)cs3)cc2=O)n1
InChIInChI=1S/C14H14N6O2S/c1-7-4-8(2)16-13(15-7)20-11(21)5-10(19-20)12(22)18-14-17-9(3)6-23-14/h4-6,19H,1-3H3,(H,17,18,22)
InChIKeyWMBNKEKBYRRBJZ-UHFFFAOYSA-N
XLogP1.59
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
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CID 110696245
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
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2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
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2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
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2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
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CID 130635299
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
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4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
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4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide (CID 167882653) is 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide is Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3nc(C)cs3)cc2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is WMBNKEKBYRRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-7-4-8(2)16-13(15-7)20-11(21)5-10(19-20)12(22)18-14-17-9(3)6-23-14/h4-6,19H,1-3H3,(H,17,18,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide?
2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167882653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).