N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

C11H12N4O2S — CID 42110938

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccn(C)n2)nc1C
InChIInChI=1S/C11H12N4O2S/c1-6-9(7(2)16)18-11(12-6)13-10(17)8-4-5-15(3)14-8/h4-5H,1-3H3,(H,12,13,17)
InChIKeyFJCPZSUNUKSRHU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.64
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 42110938) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID42110938
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccn(C)n2)nc1C
InChIInChI=1S/C11H12N4O2S/c1-6-9(7(2)16)18-11(12-6)13-10(17)8-4-5-15(3)14-8/h4-5H,1-3H3,(H,12,13,17)
InChIKeyFJCPZSUNUKSRHU-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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 42110938) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is CC(=O)c1sc(NC(=O)c2ccn(C)n2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FJCPZSUNUKSRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-9(7(2)16)18-11(12-6)13-10(17)8-4-5-15(3)14-8/h4-5H,1-3H3,(H,12,13,17).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).