1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

C17H20N2OS — CID 116601053

IUPAC1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESNCC1(C(=O)Cc2nc(-c3ccccc3)cs2)CCCC1
InChIInChI=1S/C17H20N2OS/c18-12-17(8-4-5-9-17)15(20)10-16-19-14(11-21-16)13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-10,12,18H2
InChIKeyVYYLHPPMCMOGCN-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.44
Rot. Bonds5

About 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116601053) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
PubChem CID116601053
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESNCC1(C(=O)Cc2nc(-c3ccccc3)cs2)CCCC1
InChIInChI=1S/C17H20N2OS/c18-12-17(8-4-5-9-17)15(20)10-16-19-14(11-21-16)13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-10,12,18H2
InChIKeyVYYLHPPMCMOGCN-UHFFFAOYSA-N
XLogP3.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone 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-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 103449748
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
1-(1-ethylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006703
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (CID 116601053) is 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is NCC1(C(=O)Cc2nc(-c3ccccc3)cs2)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is VYYLHPPMCMOGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c18-12-17(8-4-5-9-17)15(20)10-16-19-14(11-21-16)13-6-2-1-3-7-13/h1-3,6-7,11H,4-5,8-10,12,18H2.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 300.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116601053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).