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

C15H17ClFNOS — CID 79819502

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C15H17ClFNOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)10-5-4-9(16)6-11(10)17/h4-6,8,12,19H,7H2,1-3H3
InChIKeyGCIMMKUARGDYDP-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.51
Rot. Bonds3

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol (PubChem CID 79819502) has the molecular formula C15H17ClFNOS and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
PubChem CID79819502
Molecular FormulaC15H17ClFNOS
Molecular Weight313.83 g/mol
Exact Mass313.07
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C15H17ClFNOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)10-5-4-9(16)6-11(10)17/h4-6,8,12,19H,7H2,1-3H3
InChIKeyGCIMMKUARGDYDP-UHFFFAOYSA-N
XLogP4.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
CID 79819548
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79819805
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 107538587
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol (CID 79819502) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol is CC(C)(C)c1csc(CC(O)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
The InChIKey is GCIMMKUARGDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)10-5-4-9(16)6-11(10)17/h4-6,8,12,19H,7H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol has a molecular weight of 313.83 g/mol, XLogP of 4.51, 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-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 79819502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).