5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C17H13FN2O3S — CID 135478983

IUPAC5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c18-11-3-1-10(2-4-11)14(22)9-15-16(23)20-17(24-15)19-12-5-7-13(21)8-6-12/h1-8,15,21H,9H2,(H,19,20,23)
InChIKeyZXBTTXFRKGPLSP-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.02
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135478983) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135478983
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c18-11-3-1-10(2-4-11)14(22)9-15-16(23)20-17(24-15)19-12-5-7-13(21)8-6-12/h1-8,15,21H,9H2,(H,19,20,23)
InChIKeyZXBTTXFRKGPLSP-UHFFFAOYSA-N
XLogP3.02
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(4-methylphenyl)acetamide
CID 135439771
(5Z)-5-(4-fluorobenzylidene)-2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135498609
2-{(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-(2-methylphenyl)acetamide
CID 135486272
(2Z,5Z)-5-(3-hydroxybenzylidene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135498616
(5Z)-2-(4-hydroxyphenyl)imino-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 137174989
(2Z,5Z)-5-(2-fluorobenzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135658040
2-[(4-Hydroxyphenyl)imino]-5-(3-phenyl-2-propen-1-ylidene)-1,3-thiazolidin-4-one
CID 135438881
2-[(4-hydroxyphenyl)amino]-5-(2-oxo-2-phenylethyl)-1,3-thiazol-4(5H)-one
CID 135476427
(5E)-2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135497037
(Z)-2-((4-fluorophenyl)amino)-5-(4-hydroxybenzylidene)thiazol-4(5H)-one
CID 135426144
(2Z,5Z)-5-(3-fluorobenzylidene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135529567

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135478983) is 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is O=C(CC1S/C(=N/c2ccc(O)cc2)NC1=O)c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZXBTTXFRKGPLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-11-3-1-10(2-4-11)14(22)9-15-16(23)20-17(24-15)19-12-5-7-13(21)8-6-12/h1-8,15,21H,9H2,(H,19,20,23).
What are the key properties of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 344.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135478983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).