[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol

C15H25ClN2OS — CID 107125859

IUPAC[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol
SMILESCC(C)(C)C1CCC(CN)(C(O)c2ncc(Cl)s2)CC1
InChIInChI=1S/C15H25ClN2OS/c1-14(2,3)10-4-6-15(9-17,7-5-10)12(19)13-18-8-11(16)20-13/h8,10,12,19H,4-7,9,17H2,1-3H3
InChIKeyGPLIXFOEYXGGFV-UHFFFAOYSA-N
MW316.90 g/mol
LogP4.01
Rot. Bonds3

About [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol

[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol (PubChem CID 107125859) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol
PubChem CID107125859
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol
SMILESCC(C)(C)C1CCC(CN)(C(O)c2ncc(Cl)s2)CC1
InChIInChI=1S/C15H25ClN2OS/c1-14(2,3)10-4-6-15(9-17,7-5-10)12(19)13-18-8-11(16)20-13/h8,10,12,19H,4-7,9,17H2,1-3H3
InChIKeyGPLIXFOEYXGGFV-UHFFFAOYSA-N
XLogP4.01
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-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

Related Compounds

2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
CID 79138435
2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 107125864
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
CID 79123304
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133817
[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol
CID 113373188
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
CID 79137694
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol (CID 107125859) is [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol is CC(C)(C)C1CCC(CN)(C(O)c2ncc(Cl)s2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol?
The InChIKey is GPLIXFOEYXGGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2OS/c1-14(2,3)10-4-6-15(9-17,7-5-10)12(19)13-18-8-11(16)20-13/h8,10,12,19H,4-7,9,17H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol?
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol has a molecular weight of 316.90 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 107125859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).