5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one

C17H14FNO3S — CID 91510050

IUPAC5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C(COc2ccc(F)cc2)c2ccccc2)s1
InChIInChI=1S/C17H14FNO3S/c18-12-6-8-13(9-7-12)22-10-14(11-4-2-1-3-5-11)15-16(20)19-17(21)23-15/h1-9,14,20H,10H2,(H,19,21)
InChIKeyTVWSPYNQSLIVAY-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.49
Rot. Bonds5

About 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 91510050) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID91510050
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C(COc2ccc(F)cc2)c2ccccc2)s1
InChIInChI=1S/C17H14FNO3S/c18-12-6-8-13(9-7-12)22-10-14(11-4-2-1-3-5-11)15-16(20)19-17(21)23-15/h1-9,14,20H,10H2,(H,19,21)
InChIKeyTVWSPYNQSLIVAY-UHFFFAOYSA-N
XLogP3.49
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 91510050) is 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(C(COc2ccc(F)cc2)c2ccccc2)s1.
What is the InChIKey of 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is TVWSPYNQSLIVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c18-12-6-8-13(9-7-12)22-10-14(11-4-2-1-3-5-11)15-16(20)19-17(21)23-15/h1-9,14,20H,10H2,(H,19,21).
What are the key properties of 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 331.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)-1-phenylethyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91510050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).