(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide

C15H17N3O2S — CID 94174817

IUPAC(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1
InChIInChI=1S/C15H17N3O2S/c1-2-9-3-5-11-12(7-9)21-15(17-11)18-14(20)10-4-6-13(19)16-8-10/h3,5,7,10H,2,4,6,8H2,1H3,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyRPIXXELATQOQFY-JTQLQIEISA-N
MW303.39 g/mol
LogP2.32
Rot. Bonds3

About (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide

(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 94174817) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID94174817
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1
InChIInChI=1S/C15H17N3O2S/c1-2-9-3-5-11-12(7-9)21-15(17-11)18-14(20)10-4-6-13(19)16-8-10/h3,5,7,10H,2,4,6,8H2,1H3,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyRPIXXELATQOQFY-JTQLQIEISA-N
XLogP2.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440
4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 108745483
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108767836
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
methyl 2-[4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108767840
N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108745531
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176222
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 94174817) is (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide is CCc1ccc2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1.
What is the InChIKey of (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RPIXXELATQOQFY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-9-3-5-11-12(7-9)21-15(17-11)18-14(20)10-4-6-13(19)16-8-10/h3,5,7,10H,2,4,6,8H2,1H3,(H,16,19)(H,17,18,20)/t10-/m0/s1.
What are the key properties of (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94174817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).