4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide

C15H19N3OS — CID 1488116

IUPAC4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-2-16-15(19)18-9-7-11(8-10-18)14-17-12-5-3-4-6-13(12)20-14/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKeyUGZRWWMMFZYIMZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.21
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide (PubChem CID 1488116) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide
PubChem CID1488116
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-2-16-15(19)18-9-7-11(8-10-18)14-17-12-5-3-4-6-13(12)20-14/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKeyUGZRWWMMFZYIMZ-UHFFFAOYSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-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 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide (CID 1488116) is 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide?
The InChIKey is UGZRWWMMFZYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-16-15(19)18-9-7-11(8-10-18)14-17-12-5-3-4-6-13(12)20-14/h3-6,11H,2,7-10H2,1H3,(H,16,19).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 1488116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).