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

C14H15N3O2S — CID 94176221

IUPAC(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1
InChIInChI=1S/C14H15N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1
InChIKeyWZQGGFAZFAHDHY-VIFPVBQESA-N
MW289.36 g/mol
LogP2.07
Rot. Bonds2

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

(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 94176221) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID94176221
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1
InChIInChI=1S/C14H15N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1
InChIKeyWZQGGFAZFAHDHY-VIFPVBQESA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94174817
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 110695610
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176222
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
1-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310627

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 94176221) is (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide is Cc1ccc2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1.
What is the InChIKey of (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WZQGGFAZFAHDHY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-2-4-10-11(6-8)20-14(16-10)17-13(19)9-3-5-12(18)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,18)(H,16,17,19)/t9-/m0/s1.
What are the key properties of (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94176221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).