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

C20H18N4OS — CID 90609420

IUPAC1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H18N4OS/c21-13-14-5-7-16(8-6-14)22-19(25)15-9-11-24(12-10-15)20-23-17-3-1-2-4-18(17)26-20/h1-8,15H,9-12H2,(H,22,25)
InChIKeyHHVBIIUWKKIUEC-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.02
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide (PubChem CID 90609420) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
PubChem CID90609420
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H18N4OS/c21-13-14-5-7-16(8-6-14)22-19(25)15-9-11-24(12-10-15)20-23-17-3-1-2-4-18(17)26-20/h1-8,15H,9-12H2,(H,22,25)
InChIKeyHHVBIIUWKKIUEC-UHFFFAOYSA-N
XLogP4.02
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-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

1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 90609326
1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 34043894
butyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609345
N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128332
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
N-(4-cyanophenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610574
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 30135877

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide (CID 90609420) is 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide?
The InChIKey is HHVBIIUWKKIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-13-14-5-7-16(8-6-14)22-19(25)15-9-11-24(12-10-15)20-23-17-3-1-2-4-18(17)26-20/h1-8,15H,9-12H2,(H,22,25).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90609420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).