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

C10H7FN2OS2 — CID 6064166

IUPAC(5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S
InChIInChI=1S/C10H7FN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-
InChIKeyJCUKYKFMRIBKTJ-YVMONPNESA-N
MW254.31 g/mol
LogP1.90
Rot. Bonds1

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

(5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6064166) has the molecular formula C10H7FN2OS2 and a molecular weight of 254.31 g/mol. Its IUPAC name is (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6064166
Molecular FormulaC10H7FN2OS2
Molecular Weight254.31 g/mol
Exact Mass254.00
IUPAC Name(5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S
InChIInChI=1S/C10H7FN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-
InChIKeyJCUKYKFMRIBKTJ-YVMONPNESA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6064166) is (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S.
What is the InChIKey of (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JCUKYKFMRIBKTJ-YVMONPNESA-N. The full InChI is InChI=1S/C10H7FN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-.
What are the key properties of (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 254.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-amino-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6064166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).