N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine

C16H20N2S — CID 82422546

IUPACN-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCc1ccc(-c2ncc(CNC3CCCC3)s2)cc1
InChIInChI=1S/C16H20N2S/c1-12-6-8-13(9-7-12)16-18-11-15(19-16)10-17-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3
InChIKeyZDKGABVZXFILFQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.15
Rot. Bonds4

About N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine

N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82422546) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82422546
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCc1ccc(-c2ncc(CNC3CCCC3)s2)cc1
InChIInChI=1S/C16H20N2S/c1-12-6-8-13(9-7-12)16-18-11-15(19-16)10-17-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3
InChIKeyZDKGABVZXFILFQ-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine 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

N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61282341
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
4-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509681
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111382420
(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111382371
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
1-cyclopenta-1,4-dien-1-yl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
CID 91928151
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82422546) is N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine is Cc1ccc(-c2ncc(CNC3CCCC3)s2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is ZDKGABVZXFILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-6-8-13(9-7-12)16-18-11-15(19-16)10-17-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3.
What are the key properties of N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 272.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82422546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).