[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

C17H21N3OS — CID 119467477

IUPAC[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2cccc(C(=O)N3CCCCC3CN)c2)n1
InChIInChI=1S/C17H21N3OS/c1-12-11-22-16(19-12)13-5-4-6-14(9-13)17(21)20-8-3-2-7-15(20)10-18/h4-6,9,11,15H,2-3,7-8,10,18H2,1H3
InChIKeyFEWLTWQKZOUDDJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.07
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 119467477) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
PubChem CID119467477
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2cccc(C(=O)N3CCCCC3CN)c2)n1
InChIInChI=1S/C17H21N3OS/c1-12-11-22-16(19-12)13-5-4-6-14(9-13)17(21)20-8-3-2-7-15(20)10-18/h4-6,9,11,15H,2-3,7-8,10,18H2,1H3
InChIKeyFEWLTWQKZOUDDJ-UHFFFAOYSA-N
XLogP3.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]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

[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone;dihydrochloride
CID 119649898
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119594242
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 119469802
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 110628874
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 110354468
1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid
CID 122142819
[2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119467138

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (CID 119467477) is [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is Cc1csc(-c2cccc(C(=O)N3CCCCC3CN)c2)n1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is FEWLTWQKZOUDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-11-22-16(19-12)13-5-4-6-14(9-13)17(21)20-8-3-2-7-15(20)10-18/h4-6,9,11,15H,2-3,7-8,10,18H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 315.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 119467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).