2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol

C15H23F2NOS — CID 105115650

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol
SMILESCC(C)(C)c1csc(CC(O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H23F2NOS/c1-14(2,3)12-9-20-13(18-12)8-11(19)10-4-6-15(16,17)7-5-10/h9-11,19H,4-8H2,1-3H3
InChIKeyOEIMPNAPZUZWST-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol (PubChem CID 105115650) has the molecular formula C15H23F2NOS and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol
PubChem CID105115650
Molecular FormulaC15H23F2NOS
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol
SMILESCC(C)(C)c1csc(CC(O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H23F2NOS/c1-14(2,3)12-9-20-13(18-12)8-11(19)10-4-6-15(16,17)7-5-10/h9-11,19H,4-8H2,1-3H3
InChIKeyOEIMPNAPZUZWST-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol (CID 105115650) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol is CC(C)(C)c1csc(CC(O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol?
The InChIKey is OEIMPNAPZUZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NOS/c1-14(2,3)12-9-20-13(18-12)8-11(19)10-4-6-15(16,17)7-5-10/h9-11,19H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol has a molecular weight of 303.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol is sourced from PubChem (CID 105115650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).