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

C14H20F3NOS — CID 106781952

IUPAC4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H20F3NOS/c1-12(2,3)9-4-6-13(19,7-5-9)10-8-18-11(20-10)14(15,16)17/h8-9,19H,4-7H2,1-3H3
InChIKeyLWGVBUKPTYXZJX-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.59
Rot. Bonds1

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

4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781952) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781952
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H20F3NOS/c1-12(2,3)9-4-6-13(19,7-5-9)10-8-18-11(20-10)14(15,16)17/h8-9,19H,4-7H2,1-3H3
InChIKeyLWGVBUKPTYXZJX-UHFFFAOYSA-N
XLogP4.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781952) is 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is LWGVBUKPTYXZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-12(2,3)9-4-6-13(19,7-5-9)10-8-18-11(20-10)14(15,16)17/h8-9,19H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 307.38 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).