N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride

C19H20ClN3OS — CID 119270096

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCNCC1
InChIInChI=1S/C19H19N3OS.ClH/c23-18(13-9-11-20-12-10-13)21-15-6-2-1-5-14(15)19-22-16-7-3-4-8-17(16)24-19;/h1-8,13,20H,9-12H2,(H,21,23);1H
InChIKeyQXDWTSVUMZOONJ-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.32
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride

N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119270096) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119270096
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCNCC1
InChIInChI=1S/C19H19N3OS.ClH/c23-18(13-9-11-20-12-10-13)21-15-6-2-1-5-14(15)19-22-16-7-3-4-8-17(16)24-19;/h1-8,13,20H,9-12H2,(H,21,23);1H
InChIKeyQXDWTSVUMZOONJ-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride 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-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55606343
(2S,5R)-5-(aminomethyl)-N-[2-(1,3-benzothiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 120784174
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119687328
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25125097
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
(2S)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40860794
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119340819
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119270096) is N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCNCC1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QXDWTSVUMZOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS.ClH/c23-18(13-9-11-20-12-10-13)21-15-6-2-1-5-14(15)19-22-16-7-3-4-8-17(16)24-19;/h1-8,13,20H,9-12H2,(H,21,23);1H.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119270096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).