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

C15H22F3NOS — CID 106781950

IUPAC4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H22F3NOS/c1-4-13(2,3)10-5-7-14(20,8-6-10)11-9-19-12(21-11)15(16,17)18/h9-10,20H,4-8H2,1-3H3
InChIKeyDPGRMPMMEHZMBN-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.98
Rot. Bonds3

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

4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781950) has the molecular formula C15H22F3NOS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781950
Molecular FormulaC15H22F3NOS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H22F3NOS/c1-4-13(2,3)10-5-7-14(20,8-6-10)11-9-19-12(21-11)15(16,17)18/h9-10,20H,4-8H2,1-3H3
InChIKeyDPGRMPMMEHZMBN-UHFFFAOYSA-N
XLogP4.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781950) is 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is DPGRMPMMEHZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NOS/c1-4-13(2,3)10-5-7-14(20,8-6-10)11-9-19-12(21-11)15(16,17)18/h9-10,20H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 321.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).