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

C17H11FN2O2S2 — CID 166176995

IUPAC(5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O2S2/c18-13-5-1-12(2-6-13)10-19-20-16(22)15(24-17(20)23)9-11-3-7-14(21)8-4-11/h1-10,21H/b15-9-,19-10+
InChIKeySXIVCVGTXXFVMO-SUQUQSPJSA-N
MW358.42 g/mol
LogP3.77
Rot. Bonds3

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

(5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 166176995) has the molecular formula C17H11FN2O2S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID166176995
Molecular FormulaC17H11FN2O2S2
Molecular Weight358.42 g/mol
Exact Mass358.02
IUPAC Name(5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O2S2/c18-13-5-1-12(2-6-13)10-19-20-16(22)15(24-17(20)23)9-11-3-7-14(21)8-4-11/h1-10,21H/b15-9-,19-10+
InChIKeySXIVCVGTXXFVMO-SUQUQSPJSA-N
XLogP3.77
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 166176995) is (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SXIVCVGTXXFVMO-SUQUQSPJSA-N. The full InChI is InChI=1S/C17H11FN2O2S2/c18-13-5-1-12(2-6-13)10-19-20-16(22)15(24-17(20)23)9-11-3-7-14(21)8-4-11/h1-10,21H/b15-9-,19-10+.
What are the key properties of (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 358.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 166176995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).