(2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C17H12FN3OS2 — CID 135707323

IUPAC(2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2nc3ccccc3s2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-8,14H,9H2,(H,19,20,21,22)
InChIKeyDZTJSRYNUSLFRL-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.90
Rot. Bonds3

About (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135707323) has the molecular formula C17H12FN3OS2 and a molecular weight of 357.44 g/mol. Its IUPAC name is (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135707323
Molecular FormulaC17H12FN3OS2
Molecular Weight357.44 g/mol
Exact Mass357.04
IUPAC Name(2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2nc3ccccc3s2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-8,14H,9H2,(H,19,20,21,22)
InChIKeyDZTJSRYNUSLFRL-UHFFFAOYSA-N
XLogP3.90
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135707323) is (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2nc3ccccc3s2)SC1Cc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is DZTJSRYNUSLFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-8,14H,9H2,(H,19,20,21,22).
What are the key properties of (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 357.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).