(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one

C19H13FN4OS2 — CID 18846067

IUPAC(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1nnc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2c2ccccc2)s1
InChIInChI=1S/C19H13FN4OS2/c1-12-22-23-18(26-12)21-19-24(14-8-3-2-4-9-14)17(25)16(27-19)11-13-7-5-6-10-15(13)20/h2-11H,1H3/b16-11-,21-19+
InChIKeyNRANNOOZSPXPGG-DDRRTAJHSA-N
MW396.47 g/mol
LogP4.79
Rot. Bonds3

About (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18846067) has the molecular formula C19H13FN4OS2 and a molecular weight of 396.47 g/mol. Its IUPAC name is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID18846067
Molecular FormulaC19H13FN4OS2
Molecular Weight396.47 g/mol
Exact Mass396.05
IUPAC Name(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1nnc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2c2ccccc2)s1
InChIInChI=1S/C19H13FN4OS2/c1-12-22-23-18(26-12)21-19-24(14-8-3-2-4-9-14)17(25)16(27-19)11-13-7-5-6-10-15(13)20/h2-11H,1H3/b16-11-,21-19+
InChIKeyNRANNOOZSPXPGG-DDRRTAJHSA-N
XLogP4.79
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one (CID 18846067) is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one is Cc1nnc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2c2ccccc2)s1.
What is the InChIKey of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NRANNOOZSPXPGG-DDRRTAJHSA-N. The full InChI is InChI=1S/C19H13FN4OS2/c1-12-22-23-18(26-12)21-19-24(14-8-3-2-4-9-14)17(25)16(27-19)11-13-7-5-6-10-15(13)20/h2-11H,1H3/b16-11-,21-19+.
What are the key properties of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 396.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18846067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).