4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol

C14H24N2OS — CID 55137818

IUPAC4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)(C)c1ncc(CNC2CCC(O)CC2)s1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)13-16-9-12(18-13)8-15-10-4-6-11(17)7-5-10/h9-11,15,17H,4-8H2,1-3H3
InChIKeyVBUPQHXIVOWDIB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.83
Rot. Bonds3

About 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol

4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 55137818) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID55137818
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)(C)c1ncc(CNC2CCC(O)CC2)s1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)13-16-9-12(18-13)8-15-10-4-6-11(17)7-5-10/h9-11,15,17H,4-8H2,1-3H3
InChIKeyVBUPQHXIVOWDIB-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 4-[(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 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol (CID 55137818) is 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol is CC(C)(C)c1ncc(CNC2CCC(O)CC2)s1.
What is the InChIKey of 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is VBUPQHXIVOWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,3)13-16-9-12(18-13)8-15-10-4-6-11(17)7-5-10/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
4-[(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 4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 55137818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).