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

C12H17N3O2S — CID 64557119

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2(C)CCNCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-8(16)9-7-18-11(14-9)15-10(17)12(2)3-5-13-6-4-12/h7,13H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyLBXATBHPPPQAHO-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.67
Rot. Bonds3

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

N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 64557119) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
PubChem CID64557119
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2(C)CCNCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-8(16)9-7-18-11(14-9)15-10(17)12(2)3-5-13-6-4-12/h7,13H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyLBXATBHPPPQAHO-UHFFFAOYSA-N
XLogP1.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide
CID 64892642
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
CID 63129094
2-[[(4-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381291
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide
CID 116678104
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide
CID 96501826
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
CID 64555532
N-(4-acetyl-1,3-thiazol-2-yl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 55457240

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide (CID 64557119) is N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide is CC(=O)c1csc(NC(=O)C2(C)CCNCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is LBXATBHPPPQAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(16)9-7-18-11(14-9)15-10(17)12(2)3-5-13-6-4-12/h7,13H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 64557119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).