[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol

C14H24N2OS — CID 113373187

IUPAC[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol
SMILESCCCC1CCC(CN)(C(O)c2cncs2)CC1
InChIInChI=1S/C14H24N2OS/c1-2-3-11-4-6-14(9-15,7-5-11)13(17)12-8-16-10-18-12/h8,10-11,13,17H,2-7,9,15H2,1H3
InChIKeyYPWQZEHBQICWOQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.11
Rot. Bonds5

About [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol

[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol (PubChem CID 113373187) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol
PubChem CID113373187
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol
SMILESCCCC1CCC(CN)(C(O)c2cncs2)CC1
InChIInChI=1S/C14H24N2OS/c1-2-3-11-4-6-14(9-15,7-5-11)13(17)12-8-16-10-18-12/h8,10-11,13,17H,2-7,9,15H2,1H3
InChIKeyYPWQZEHBQICWOQ-UHFFFAOYSA-N
XLogP3.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol 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 [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol (CID 113373187) is [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol is CCCC1CCC(CN)(C(O)c2cncs2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol?
The InChIKey is YPWQZEHBQICWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-3-11-4-6-14(9-15,7-5-11)13(17)12-8-16-10-18-12/h8,10-11,13,17H,2-7,9,15H2,1H3.
What are the key properties of [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol?
[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol has a molecular weight of 268.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 113373187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).