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

C11H10FNO4S — CID 91300159

IUPAC5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C(O)COc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FNO4S/c12-6-1-3-7(4-2-6)17-5-8(14)9-10(15)13-11(16)18-9/h1-4,8,14-15H,5H2,(H,13,16)
InChIKeyIXLWDVJNLVMWDR-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.39
Rot. Bonds4

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

5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 91300159) has the molecular formula C11H10FNO4S and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID91300159
Molecular FormulaC11H10FNO4S
Molecular Weight271.27 g/mol
Exact Mass271.03
IUPAC Name5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C(O)COc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FNO4S/c12-6-1-3-7(4-2-6)17-5-8(14)9-10(15)13-11(16)18-9/h1-4,8,14-15H,5H2,(H,13,16)
InChIKeyIXLWDVJNLVMWDR-UHFFFAOYSA-N
XLogP1.39
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
CID 117240196
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
2-fluoro-3-(4-fluorophenoxy)propanoic acid
CID 105454089
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
CID 31076436

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 91300159) is 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(C(O)COc2ccc(F)cc2)s1.
What is the InChIKey of 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is IXLWDVJNLVMWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4S/c12-6-1-3-7(4-2-6)17-5-8(14)9-10(15)13-11(16)18-9/h1-4,8,14-15H,5H2,(H,13,16).
What are the key properties of 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 271.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)-1-hydroxyethyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91300159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).