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

C18H15F2NO3S2 — CID 46942839

IUPAC1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C18H15F2NO3S2/c1-18(22,12-5-8-14(19)15(20)9-12)17-21-16(10-25-17)11-3-6-13(7-4-11)26(2,23)24/h3-10,22H,1-2H3
InChIKeyUIISLLUPGABHKX-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.75
Rot. Bonds4

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

1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 46942839) has the molecular formula C18H15F2NO3S2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID46942839
Molecular FormulaC18H15F2NO3S2
Molecular Weight395.45 g/mol
Exact Mass395.05
IUPAC Name1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C18H15F2NO3S2/c1-18(22,12-5-8-14(19)15(20)9-12)17-21-16(10-25-17)11-3-6-13(7-4-11)26(2,23)24/h3-10,22H,1-2H3
InChIKeyUIISLLUPGABHKX-UHFFFAOYSA-N
XLogP3.75
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol (CID 46942839) is 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol is CC(O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is UIISLLUPGABHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3S2/c1-18(22,12-5-8-14(19)15(20)9-12)17-21-16(10-25-17)11-3-6-13(7-4-11)26(2,23)24/h3-10,22H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol?
1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 395.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46942839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).