[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone

C18H23N3OS — CID 119593496

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3OS/c1-13(19)15-8-5-9-21(11-15)18(22)16-12-23-17(20-16)10-14-6-3-2-4-7-14/h2-4,6-7,12-13,15H,5,8-11,19H2,1H3
InChIKeyXAZHREMZPIPMAU-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.93
Rot. Bonds4

About [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone (PubChem CID 119593496) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
PubChem CID119593496
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3OS/c1-13(19)15-8-5-9-21(11-15)18(22)16-12-23-17(20-16)10-14-6-3-2-4-7-14/h2-4,6-7,12-13,15H,5,8-11,19H2,1H3
InChIKeyXAZHREMZPIPMAU-UHFFFAOYSA-N
XLogP2.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone 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

[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 133114808
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 45171795
[(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 42154386
3-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]butanoic acid
CID 81047506
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875
(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
CID 56701731
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119595181

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone (CID 119593496) is [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone is CC(N)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone?
The InChIKey is XAZHREMZPIPMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(19)15-8-5-9-21(11-15)18(22)16-12-23-17(20-16)10-14-6-3-2-4-7-14/h2-4,6-7,12-13,15H,5,8-11,19H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 119593496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).