(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C17H22N4O3S — CID 92627037

IUPAC(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCOc1cccc2sc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)nc12
InChIInChI=1S/C17H22N4O3S/c1-2-24-12-6-3-7-13-15(12)19-17(25-13)20-16(23)11-5-4-8-21(9-11)10-14(18)22/h3,6-7,11H,2,4-5,8-10H2,1H3,(H2,18,22)(H,19,20,23)/t11-/m0/s1
InChIKeyGAEVOLIUMSMAFV-NSHDSACASA-N
MW362.46 g/mol
LogP1.83
Rot. Bonds6

About (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 92627037) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID92627037
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCOc1cccc2sc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)nc12
InChIInChI=1S/C17H22N4O3S/c1-2-24-12-6-3-7-13-15(12)19-17(25-13)20-16(23)11-5-4-8-21(9-11)10-14(18)22/h3,6-7,11H,2,4-5,8-10H2,1H3,(H2,18,22)(H,19,20,23)/t11-/m0/s1
InChIKeyGAEVOLIUMSMAFV-NSHDSACASA-N
XLogP1.83
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828488
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827733
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 177079750
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829090
N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 177079616
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
(1R)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 51688176

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 92627037) is (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCOc1cccc2sc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)nc12.
What is the InChIKey of (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GAEVOLIUMSMAFV-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-24-12-6-3-7-13-15(12)19-17(25-13)20-16(23)11-5-4-8-21(9-11)10-14(18)22/h3,6-7,11H,2,4-5,8-10H2,1H3,(H2,18,22)(H,19,20,23)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92627037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).