[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine

C14H24N2S — CID 81010240

IUPAC[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
SMILESCC(C)(C)c1csc(CC2CCCC2CN)n1
InChIInChI=1S/C14H24N2S/c1-14(2,3)12-9-17-13(16-12)7-10-5-4-6-11(10)8-15/h9-11H,4-8,15H2,1-3H3
InChIKeyKLNCAZURQGJMQZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.36
Rot. Bonds3

About [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine (PubChem CID 81010240) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
PubChem CID81010240
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
SMILESCC(C)(C)c1csc(CC2CCCC2CN)n1
InChIInChI=1S/C14H24N2S/c1-14(2,3)12-9-17-13(16-12)7-10-5-4-6-11(10)8-15/h9-11H,4-8,15H2,1-3H3
InChIKeyKLNCAZURQGJMQZ-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine (CID 81010240) is [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine is CC(C)(C)c1csc(CC2CCCC2CN)n1.
What is the InChIKey of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine?
The InChIKey is KLNCAZURQGJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)12-9-17-13(16-12)7-10-5-4-6-11(10)8-15/h9-11H,4-8,15H2,1-3H3.
What are the key properties of [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine?
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 81010240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).