(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide

C17H25N3O2S — CID 97121703

IUPAC(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C17H25N3O2S/c1-2-20-11-12(7-8-16(20)21)17(22)18-10-9-15-19-13-5-3-4-6-14(13)23-15/h12H,2-11H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyDWWCJLXEZTZLNW-LBPRGKRZSA-N
MW335.47 g/mol
LogP1.94
Rot. Bonds5

About (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide

(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 97121703) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID97121703
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C17H25N3O2S/c1-2-20-11-12(7-8-16(20)21)17(22)18-10-9-15-19-13-5-3-4-6-14(13)23-15/h12H,2-11H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyDWWCJLXEZTZLNW-LBPRGKRZSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 97121703) is (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide is CCN1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O.
What is the InChIKey of (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is DWWCJLXEZTZLNW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-20-11-12(7-8-16(20)21)17(22)18-10-9-15-19-13-5-3-4-6-14(13)23-15/h12H,2-11H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97121703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).