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)C1=CSC(=N1)NC(=O)C2(CCNCC2)C
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
LogP0.90
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)C1=CSC(=N1)NC(=O)C2(CCNCC2)C
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
XLogP0.90
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)C1=CSC(=N1)NC(=O)C2(CCNCC2)C.
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 0.90, 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).