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

C10H10N4O3S — CID 110467860

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2=NNC(=O)C2)nc1C
InChIInChI=1S/C10H10N4O3S/c1-4-8(5(2)15)18-10(11-4)12-9(17)6-3-7(16)14-13-6/h3H2,1-2H3,(H,14,16)(H,11,12,17)
InChIKeyDWKBOHWHPCWOBA-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.47
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467860) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467860
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2=NNC(=O)C2)nc1C
InChIInChI=1S/C10H10N4O3S/c1-4-8(5(2)15)18-10(11-4)12-9(17)6-3-7(16)14-13-6/h3H2,1-2H3,(H,14,16)(H,11,12,17)
InChIKeyDWKBOHWHPCWOBA-UHFFFAOYSA-N
XLogP0.47
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484281
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565329
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 1406508
(1R,2S,4S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11914236
N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467708
N-tert-butyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467674
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508
1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 108804450
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide
CID 43859528
5-oxo-N-pyridin-4-yl-1,4-dihydropyrazole-3-carboxamide
CID 110467687

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467860) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is CC(=O)c1sc(NC(=O)C2=NNC(=O)C2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is DWKBOHWHPCWOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-4-8(5(2)15)18-10(11-4)12-9(17)6-3-7(16)14-13-6/h3H2,1-2H3,(H,14,16)(H,11,12,17).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 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)-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).