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

C12H14N4O2S — CID 16952132

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1C
InChIInChI=1S/C12H14N4O2S/c1-6-5-9(15-16(6)4)11(18)14-12-13-7(2)10(19-12)8(3)17/h5H,1-4H3,(H,13,14,18)
InChIKeySCJHUHLEMUBKRQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.95
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952132) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952132
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1C
InChIInChI=1S/C12H14N4O2S/c1-6-5-9(15-16(6)4)11(18)14-12-13-7(2)10(19-12)8(3)17/h5H,1-4H3,(H,13,14,18)
InChIKeySCJHUHLEMUBKRQ-UHFFFAOYSA-N
XLogP1.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
CID 844718
3-tert-butyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 654029
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 25854593
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144276
ethyl 2-(1,5-dimethyl-1H-pyrazole-3-carboxamido)thiazole-4-carboxylate
CID 16952133
1,5-dimethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 16952207
ethyl 2-(1,5-dimethyl-1H-pyrazole-3-carboxamido)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
CID 16952291
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
ethyl 2-(1,3-dimethyl-1H-pyrazole-5-carboxamido)thiazole-4-carboxylate
CID 16952741
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25835687
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 25854624

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 16952132) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is CC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SCJHUHLEMUBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-6-5-9(15-16(6)4)11(18)14-12-13-7(2)10(19-12)8(3)17/h5H,1-4H3,(H,13,14,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.95, 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)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).