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

C17H13FN2O2S — CID 1361026

IUPAC(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c1-22-14-8-2-11(3-9-14)10-15-16(21)20(17(19)23-15)13-6-4-12(18)5-7-13/h2-10,19H,1H3/b15-10-,19-17-
InChIKeyDRGLRSGHDXOWKO-VUDPKCRPSA-N
MW328.37 g/mol
LogP3.89
Rot. Bonds3

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

(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1361026) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1361026
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c1-22-14-8-2-11(3-9-14)10-15-16(21)20(17(19)23-15)13-6-4-12(18)5-7-13/h2-10,19H,1H3/b15-10-,19-17-
InChIKeyDRGLRSGHDXOWKO-VUDPKCRPSA-N
XLogP3.89
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 1361026) is (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DRGLRSGHDXOWKO-VUDPKCRPSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-22-14-8-2-11(3-9-14)10-15-16(21)20(17(19)23-15)13-6-4-12(18)5-7-13/h2-10,19H,1H3/b15-10-,19-17-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 328.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1361026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).