(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one

C16H11FN2OS — CID 12004521

IUPAC(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-6-8-13(9-7-12)19-15(20)14(21-16(19)18)10-11-4-2-1-3-5-11/h1-10,18H/b14-10-,18-16-
InChIKeyCHCUJHHFWBQKSI-FEGCFHEDSA-N
MW298.34 g/mol
LogP3.88
Rot. Bonds2

About (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 12004521) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID12004521
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-6-8-13(9-7-12)19-15(20)14(21-16(19)18)10-11-4-2-1-3-5-11/h1-10,18H/b14-10-,18-16-
InChIKeyCHCUJHHFWBQKSI-FEGCFHEDSA-N
XLogP3.88
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.88
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)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one (CID 12004521) is (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is CHCUJHHFWBQKSI-FEGCFHEDSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-12-6-8-13(9-7-12)19-15(20)14(21-16(19)18)10-11-4-2-1-3-5-11/h1-10,18H/b14-10-,18-16-.
What are the key properties of (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 298.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 12004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).