(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H16FNOS2 — CID 18839002

IUPAC(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC/C(=C1/SC(=S)N(c2c(C)cccc2C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FNOS2/c1-11-5-4-6-12(2)16(11)21-18(22)17(24-19(21)23)13(3)14-7-9-15(20)10-8-14/h4-10H,1-3H3/b17-13-
InChIKeyMHSIDAREWQARBG-LGMDPLHJSA-N
MW357.48 g/mol
LogP5.24
Rot. Bonds2

About (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 18839002) has the molecular formula C19H16FNOS2 and a molecular weight of 357.48 g/mol. Its IUPAC name is (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID18839002
Molecular FormulaC19H16FNOS2
Molecular Weight357.48 g/mol
Exact Mass357.07
IUPAC Name(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC/C(=C1/SC(=S)N(c2c(C)cccc2C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FNOS2/c1-11-5-4-6-12(2)16(11)21-18(22)17(24-19(21)23)13(3)14-7-9-15(20)10-8-14/h4-10H,1-3H3/b17-13-
InChIKeyMHSIDAREWQARBG-LGMDPLHJSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.24
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'}

Analyze (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[1-(4-fluorophenyl)ethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1332128
3-[(5E)-5-[1-(4-fluorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2142118
(5E)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124647092
(5Z)-5-[1-(4-bromophenyl)ethylidene]-3-(2,5-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18841307
3-[(5Z)-5-[1-(4-chlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzoic acid
CID 18841322
(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838874
(5Z)-3-(4-butylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-1,3-thiazolidine-2,4-dione
CID 18837170
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838884
(5Z)-3-(2,6-dimethylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838989
(5Z)-3-(2,6-dimethylphenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838917
N-[4-[(5Z)-5-[1-(4-bromophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 18839073
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18839009

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 18839002) is (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C/C(=C1/SC(=S)N(c2c(C)cccc2C)C1=O)c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is MHSIDAREWQARBG-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H16FNOS2/c1-11-5-4-6-12(2)16(11)21-18(22)17(24-19(21)23)13(3)14-7-9-15(20)10-8-14/h4-10H,1-3H3/b17-13-.
What are the key properties of (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 357.48 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 18839002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).