2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine

C17H22N2S — CID 62900718

IUPAC2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESc1ccc(-c2csc(CNCCC3CCCC3)n2)cc1
InChIInChI=1S/C17H22N2S/c1-2-8-15(9-3-1)16-13-20-17(19-16)12-18-11-10-14-6-4-5-7-14/h1-3,8-9,13-14,18H,4-7,10-12H2
InChIKeyOUCZDRCVFQFBFA-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.48
Rot. Bonds6

About 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine

2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62900718) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62900718
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESc1ccc(-c2csc(CNCCC3CCCC3)n2)cc1
InChIInChI=1S/C17H22N2S/c1-2-8-15(9-3-1)16-13-20-17(19-16)12-18-11-10-14-6-4-5-7-14/h1-3,8-9,13-14,18H,4-7,10-12H2
InChIKeyOUCZDRCVFQFBFA-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine 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-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600570
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 62900558
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 103684804
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900725
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 62900718) is 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is c1ccc(-c2csc(CNCCC3CCCC3)n2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is OUCZDRCVFQFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-8-15(9-3-1)16-13-20-17(19-16)12-18-11-10-14-6-4-5-7-14/h1-3,8-9,13-14,18H,4-7,10-12H2.
What are the key properties of 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).