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

C15H22F3NOS — CID 79827471

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)c1csc(CC2(O)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C15H22F3NOS/c1-13(2,3)11-9-21-12(19-11)8-14(20)6-4-10(5-7-14)15(16,17)18/h9-10,20H,4-8H2,1-3H3
InChIKeyWJBRWJWZIAJJMY-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.47
Rot. Bonds2

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79827471) has the molecular formula C15H22F3NOS and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79827471
Molecular FormulaC15H22F3NOS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)c1csc(CC2(O)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C15H22F3NOS/c1-13(2,3)11-9-21-12(19-11)8-14(20)6-4-10(5-7-14)15(16,17)18/h9-10,20H,4-8H2,1-3H3
InChIKeyWJBRWJWZIAJJMY-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 79827471) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is CC(C)(C)c1csc(CC2(O)CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WJBRWJWZIAJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NOS/c1-13(2,3)11-9-21-12(19-11)8-14(20)6-4-10(5-7-14)15(16,17)18/h9-10,20H,4-8H2,1-3H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 321.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79827471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).