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

C18H16FNO2S — CID 46947906

IUPAC1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C18H16FNO2S/c1-18(21,13-6-8-15(22-2)9-7-13)17-20-16(11-23-17)12-4-3-5-14(19)10-12/h3-11,21H,1-2H3
InChIKeyXMJUGGDODUDEOO-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.21
Rot. Bonds4

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

1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 46947906) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID46947906
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(-c3cccc(F)c3)cs2)cc1
InChIInChI=1S/C18H16FNO2S/c1-18(21,13-6-8-15(22-2)9-7-13)17-20-16(11-23-17)12-4-3-5-14(19)10-12/h3-11,21H,1-2H3
InChIKeyXMJUGGDODUDEOO-UHFFFAOYSA-N
XLogP4.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol (CID 46947906) is 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2nc(-c3cccc(F)c3)cs2)cc1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is XMJUGGDODUDEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-18(21,13-6-8-15(22-2)9-7-13)17-20-16(11-23-17)12-4-3-5-14(19)10-12/h3-11,21H,1-2H3.
What are the key properties of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 329.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 46947906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).