N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C21H21N5OS — CID 90609923

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C21H21N5OS/c27-20(22-12-19-23-15-7-1-2-8-16(15)24-19)14-6-5-11-26(13-14)21-25-17-9-3-4-10-18(17)28-21/h1-4,7-10,14H,5-6,11-13H2,(H,22,27)(H,23,24)
InChIKeyIHKGGNPAUIXLFZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.71
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90609923) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID90609923
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C21H21N5OS/c27-20(22-12-19-23-15-7-1-2-8-16(15)24-19)14-6-5-11-26(13-14)21-25-17-9-3-4-10-18(17)28-21/h1-4,7-10,14H,5-6,11-13H2,(H,22,27)(H,23,24)
InChIKeyIHKGGNPAUIXLFZ-UHFFFAOYSA-N
XLogP3.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-benzimidazol-2-ylmethyl)-1-(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

1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
1-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47047183
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609448
(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 60516773
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
(3R)-N-(4-amino-3,5-dichlorophenyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 97018001

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 90609923) is N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(NCc1nc2ccccc2[nH]1)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is IHKGGNPAUIXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c27-20(22-12-19-23-15-7-1-2-8-16(15)24-19)14-6-5-11-26(13-14)21-25-17-9-3-4-10-18(17)28-21/h1-4,7-10,14H,5-6,11-13H2,(H,22,27)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90609923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).