N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide

C11H12N4O2S — CID 113235351

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C11H12N4O2S/c1-6-8(4-15(3)14-6)10(17)13-11-12-9(5-18-11)7(2)16/h4-5H,1-3H3,(H,12,13,17)
InChIKeyCUMOSYJSMKQPPC-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.64
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 113235351) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID113235351
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C11H12N4O2S/c1-6-8(4-15(3)14-6)10(17)13-11-12-9(5-18-11)7(2)16/h4-5H,1-3H3,(H,12,13,17)
InChIKeyCUMOSYJSMKQPPC-UHFFFAOYSA-N
XLogP1.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide (CID 113235351) is N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide is CC(=O)c1csc(NC(=O)c2cn(C)nc2C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is CUMOSYJSMKQPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-8(4-15(3)14-6)10(17)13-11-12-9(5-18-11)7(2)16/h4-5H,1-3H3,(H,12,13,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 113235351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).