5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H12FNO2S2 — CID 3641803

IUPAC5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1
InChIInChI=1S/C18H12FNO2S2/c1-11-6-8-12(9-7-11)16(21)20-17(22)15(24-18(20)23)10-13-4-2-3-5-14(13)19/h2-10H,1H3
InChIKeyHEAJADSIMQVJCM-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.18
Rot. Bonds2

About 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one

5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3641803) has the molecular formula C18H12FNO2S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3641803
Molecular FormulaC18H12FNO2S2
Molecular Weight357.43 g/mol
Exact Mass357.03
IUPAC Name5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1
InChIInChI=1S/C18H12FNO2S2/c1-11-6-8-12(9-7-11)16(21)20-17(22)15(24-18(20)23)10-13-4-2-3-5-14(13)19/h2-10H,1H3
InChIKeyHEAJADSIMQVJCM-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzoyl-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 569929
(5E)-3-(2-chlorobenzoyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5372459
5-[(2,4-dichlorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171132384
3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514944
(5Z)-3-(4-methylbenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6368576
4-[5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 5081193
ethyl 2-[5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 1384013
(5Z)-3-(4-chlorobenzoyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6153402
(2S)-2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
CID 7264994
N-(4-acetylphenyl)-3-[5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 4757208
6-[5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2788534
11-[5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
CID 4514938

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3641803) is 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(C(=O)N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1.
What is the InChIKey of 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HEAJADSIMQVJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2S2/c1-11-6-8-12(9-7-11)16(21)20-17(22)15(24-18(20)23)10-13-4-2-3-5-14(13)19/h2-10H,1H3.
What are the key properties of 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 357.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3641803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).