N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide

C12H17N3O2S — CID 166254325

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCCc1cnc(NC(=O)C2CCCC(=O)N2C)s1
InChIInChI=1S/C12H17N3O2S/c1-3-8-7-13-12(18-8)14-11(17)9-5-4-6-10(16)15(9)2/h7,9H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyFCEBTUPJWVBGQZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.65
Rot. Bonds3

About N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide

N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 166254325) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID166254325
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCCc1cnc(NC(=O)C2CCCC(=O)N2C)s1
InChIInChI=1S/C12H17N3O2S/c1-3-8-7-13-12(18-8)14-11(17)9-5-4-6-10(16)15(9)2/h7,9H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyFCEBTUPJWVBGQZ-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide (CID 166254325) is N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide is CCc1cnc(NC(=O)C2CCCC(=O)N2C)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is FCEBTUPJWVBGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-8-7-13-12(18-8)14-11(17)9-5-4-6-10(16)15(9)2/h7,9H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 166254325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).