(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone

C24H28N4OS — CID 56701731

IUPAC(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
SMILESCN(CCc1ccccn1)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C24H28N4OS/c1-27(15-12-20-10-5-6-13-25-20)21-11-7-14-28(17-21)24(29)22-18-30-23(26-22)16-19-8-3-2-4-9-19/h2-6,8-10,13,18,21H,7,11-12,14-17H2,1H3
InChIKeyYBUOTDQLQMGJLA-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.91
Rot. Bonds7

About (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone

(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone (PubChem CID 56701731) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
PubChem CID56701731
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
SMILESCN(CCc1ccccn1)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C24H28N4OS/c1-27(15-12-20-10-5-6-13-25-20)21-11-7-14-28(17-21)24(29)22-18-30-23(26-22)16-19-8-3-2-4-9-19/h2-6,8-10,13,18,21H,7,11-12,14-17H2,1H3
InChIKeyYBUOTDQLQMGJLA-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 95727240
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 56912433
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616726
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
CID 45179784
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
1-ethyl-6-methyl-3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]pyridin-2-one
CID 56894066
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 45249482

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone (CID 56701731) is (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone is CN(CCc1ccccn1)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1.
What is the InChIKey of (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone?
The InChIKey is YBUOTDQLQMGJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-27(15-12-20-10-5-6-13-25-20)21-11-7-14-28(17-21)24(29)22-18-30-23(26-22)16-19-8-3-2-4-9-19/h2-6,8-10,13,18,21H,7,11-12,14-17H2,1H3.
What are the key properties of (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone?
(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone has a molecular weight of 420.58 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56701731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).