1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol

C18H14F3NO2S — CID 46943544

IUPAC1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCOc1cc(F)ccc1-c1csc(C(C)(O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H14F3NO2S/c1-18(23,10-3-6-13(20)14(21)7-10)17-22-15(9-25-17)12-5-4-11(19)8-16(12)24-2/h3-9,23H,1-2H3
InChIKeyQKTRUHMDQCZELI-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.49
Rot. Bonds4

About 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol

1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 46943544) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID46943544
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCOc1cc(F)ccc1-c1csc(C(C)(O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H14F3NO2S/c1-18(23,10-3-6-13(20)14(21)7-10)17-22-15(9-25-17)12-5-4-11(19)8-16(12)24-2/h3-9,23H,1-2H3
InChIKeyQKTRUHMDQCZELI-UHFFFAOYSA-N
XLogP4.49
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol (CID 46943544) is 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol is COc1cc(F)ccc1-c1csc(C(C)(O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is QKTRUHMDQCZELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c1-18(23,10-3-6-13(20)14(21)7-10)17-22-15(9-25-17)12-5-4-11(19)8-16(12)24-2/h3-9,23H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol?
1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 365.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46943544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).