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

C16H10F2N2OS — CID 12004520

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2OS/c17-11-5-7-12(8-6-11)20-15(21)14(22-16(20)19)9-10-3-1-2-4-13(10)18/h1-9,19H/b14-9-,19-16-
InChIKeyCCBAQQBNNVZHPG-MXOJYHIHSA-N
MW316.33 g/mol
LogP4.02
Rot. Bonds2

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

(5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 12004520) has the molecular formula C16H10F2N2OS and a molecular weight of 316.33 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID12004520
Molecular FormulaC16H10F2N2OS
Molecular Weight316.33 g/mol
Exact Mass316.05
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2OS/c17-11-5-7-12(8-6-11)20-15(21)14(22-16(20)19)9-10-3-1-2-4-13(10)18/h1-9,19H/b14-9-,19-16-
InChIKeyCCBAQQBNNVZHPG-MXOJYHIHSA-N
XLogP4.02
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 12004520) is (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is CCBAQQBNNVZHPG-MXOJYHIHSA-N. The full InChI is InChI=1S/C16H10F2N2OS/c17-11-5-7-12(8-6-11)20-15(21)14(22-16(20)19)9-10-3-1-2-4-13(10)18/h1-9,19H/b14-9-,19-16-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 316.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 12004520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).