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

C16H11FN2O2S — CID 135555338

IUPAC(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc(O)cc2)/C(=C/c2ccc(F)cc2)S1
InChIInChI=1S/C16H11FN2O2S/c17-11-3-1-10(2-4-11)9-14-15(19-16(21)22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)/b14-9-
InChIKeyIMDHDLMMZMEBDH-ZROIWOOFSA-N
MW314.34 g/mol
LogP4.06
Rot. Bonds2

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

(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135555338) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135555338
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc(O)cc2)/C(=C/c2ccc(F)cc2)S1
InChIInChI=1S/C16H11FN2O2S/c17-11-3-1-10(2-4-11)9-14-15(19-16(21)22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)/b14-9-
InChIKeyIMDHDLMMZMEBDH-ZROIWOOFSA-N
XLogP4.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzoic acid
CID 135711795
(5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782343
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135672066
(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135711756
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
CID 135635357
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
CID 135949892
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782208
4-[5-[(Z)-[4-(4-fluorophenyl)imino-2-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135782451
4-[[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzenesulfonamide
CID 135711742
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782246

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one (CID 135555338) is (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccc(O)cc2)/C(=C/c2ccc(F)cc2)S1.
What is the InChIKey of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is IMDHDLMMZMEBDH-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-3-1-10(2-4-11)9-14-15(19-16(21)22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)/b14-9-.
What are the key properties of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 314.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135555338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).