(5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C18H12FNOS2 — CID 1250914

IUPAC(5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(F)c1
InChIInChI=1S/C18H12FNOS2/c19-14-9-5-10-15(12-14)20-17(21)16(23-18(20)22)11-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,16-11-
InChIKeyPGPMICQRIXRZPV-MAHQCVNESA-N
MW341.43 g/mol
LogP4.79
Rot. Bonds3

About (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1250914) has the molecular formula C18H12FNOS2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1250914
Molecular FormulaC18H12FNOS2
Molecular Weight341.43 g/mol
Exact Mass341.03
IUPAC Name(5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(F)c1
InChIInChI=1S/C18H12FNOS2/c19-14-9-5-10-15(12-14)20-17(21)16(23-18(20)22)11-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,16-11-
InChIKeyPGPMICQRIXRZPV-MAHQCVNESA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
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3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
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3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
Rhodanine, 5-benzylidene-3-phenyl-
CID 2302276

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1250914) is (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(F)c1.
What is the InChIKey of (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PGPMICQRIXRZPV-MAHQCVNESA-N. The full InChI is InChI=1S/C18H12FNOS2/c19-14-9-5-10-15(12-14)20-17(21)16(23-18(20)22)11-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,16-11-.
What are the key properties of (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 341.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-fluorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1250914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).