N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

C24H30N4OS — CID 177079616

IUPACN-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CCCC(C(=O)Nc2nc3c(Cc4ccccc4)cccc3s2)C1
InChIInChI=1S/C24H30N4OS/c1-27(2)14-15-28-13-7-11-20(17-28)23(29)26-24-25-22-19(10-6-12-21(22)30-24)16-18-8-4-3-5-9-18/h3-6,8-10,12,20H,7,11,13-17H2,1-2H3,(H,25,26,29)
InChIKeyAFMQJASNVIQXSP-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.10
Rot. Bonds7

About N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 177079616) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID177079616
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC NameN-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CCCC(C(=O)Nc2nc3c(Cc4ccccc4)cccc3s2)C1
InChIInChI=1S/C24H30N4OS/c1-27(2)14-15-28-13-7-11-20(17-28)23(29)26-24-25-22-19(10-6-12-21(22)30-24)16-18-8-4-3-5-9-18/h3-6,8-10,12,20H,7,11,13-17H2,1-2H3,(H,25,26,29)
InChIKeyAFMQJASNVIQXSP-UHFFFAOYSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 177079750
(3R)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 168899979
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]azocane-3-carboxamide
CID 171529930
N-(4-bromo-1,3-thiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 171529916
(3S)-1-(2-amino-2-oxoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92627037
N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826190
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
5-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl]-1-[2-(dimethylamino)ethyl]piperidine-3-carboxylic acid
CID 177079711
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 177079616) is N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is CN(C)CCN1CCCC(C(=O)Nc2nc3c(Cc4ccccc4)cccc3s2)C1.
What is the InChIKey of N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is AFMQJASNVIQXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-27(2)14-15-28-13-7-11-20(17-28)23(29)26-24-25-22-19(10-6-12-21(22)30-24)16-18-8-4-3-5-9-18/h3-6,8-10,12,20H,7,11,13-17H2,1-2H3,(H,25,26,29).
What are the key properties of N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 422.60 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 177079616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).