4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

C13H18F3NOS — CID 106781995

IUPAC4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H18F3NOS/c1-8(2)9-3-5-12(18,6-4-9)10-7-17-11(19-10)13(14,15)16/h7-9,18H,3-6H2,1-2H3
InChIKeyYWXLMQIBRYSKRF-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.20
Rot. Bonds2

About 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781995) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781995
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H18F3NOS/c1-8(2)9-3-5-12(18,6-4-9)10-7-17-11(19-10)13(14,15)16/h7-9,18H,3-6H2,1-2H3
InChIKeyYWXLMQIBRYSKRF-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]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-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781995) is 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CC(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is YWXLMQIBRYSKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-8(2)9-3-5-12(18,6-4-9)10-7-17-11(19-10)13(14,15)16/h7-9,18H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 293.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).