1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol

C15H17F2NOS — CID 105402780

IUPAC1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol
SMILESCC(C)(C)c1nc(C(O)Cc2cc(F)cc(F)c2)cs1
InChIInChI=1S/C15H17F2NOS/c1-15(2,3)14-18-12(8-20-14)13(19)6-9-4-10(16)7-11(17)5-9/h4-5,7-8,13,19H,6H2,1-3H3
InChIKeyZQOHDLCVYMCNJM-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.99
Rot. Bonds3

About 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol

1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol (PubChem CID 105402780) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol
PubChem CID105402780
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol
SMILESCC(C)(C)c1nc(C(O)Cc2cc(F)cc(F)c2)cs1
InChIInChI=1S/C15H17F2NOS/c1-15(2,3)14-18-12(8-20-14)13(19)6-9-4-10(16)7-11(17)5-9/h4-5,7-8,13,19H,6H2,1-3H3
InChIKeyZQOHDLCVYMCNJM-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
2-[(2-tert-butyl-1,3-thiazol-4-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 113472551
1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 105405745
2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
CID 66056335
(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
CID 113472367
1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116775255
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64544468
methyl 2-(2-tert-butyl-1,3-thiazol-4-yl)butanoate
CID 116891437
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
2-(3,5-difluorophenyl)-1-thiophen-3-ylethanol
CID 65099650
(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809869

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol (CID 105402780) is 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol is CC(C)(C)c1nc(C(O)Cc2cc(F)cc(F)c2)cs1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol?
The InChIKey is ZQOHDLCVYMCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-15(2,3)14-18-12(8-20-14)13(19)6-9-4-10(16)7-11(17)5-9/h4-5,7-8,13,19H,6H2,1-3H3.
What are the key properties of 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol?
1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol has a molecular weight of 297.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 105402780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).