2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol

C14H24N2OS — CID 63121163

IUPAC2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)(C)c1ncc(CNC2CCCCC2O)s1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)13-16-9-10(18-13)8-15-11-6-4-5-7-12(11)17/h9,11-12,15,17H,4-8H2,1-3H3
InChIKeyZSOUWWKNTNUJRE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.83
Rot. Bonds3

About 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol

2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 63121163) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID63121163
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)(C)c1ncc(CNC2CCCCC2O)s1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)13-16-9-10(18-13)8-15-11-6-4-5-7-12(11)17/h9,11-12,15,17H,4-8H2,1-3H3
InChIKeyZSOUWWKNTNUJRE-UHFFFAOYSA-N
XLogP2.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol 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-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol (CID 63121163) is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol is CC(C)(C)c1ncc(CNC2CCCCC2O)s1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ZSOUWWKNTNUJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,3)13-16-9-10(18-13)8-15-11-6-4-5-7-12(11)17/h9,11-12,15,17H,4-8H2,1-3H3.
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 63121163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).