(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C21H13ClFNO2S2 — CID 50874194

IUPAC(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S
InChIInChI=1S/C21H13ClFNO2S2/c1-12-4-2-3-5-17(12)24-20(25)19(28-21(24)27)11-14-7-9-18(26-14)13-6-8-16(23)15(22)10-13/h2-11H,1H3/b19-11+
InChIKeyQIDABOJBUHOQAM-YBFXNURJSA-N
MW429.93 g/mol
LogP6.45
Rot. Bonds3

About (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 50874194) has the molecular formula C21H13ClFNO2S2 and a molecular weight of 429.93 g/mol. Its IUPAC name is (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID50874194
Molecular FormulaC21H13ClFNO2S2
Molecular Weight429.93 g/mol
Exact Mass429.01
IUPAC Name(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S
InChIInChI=1S/C21H13ClFNO2S2/c1-12-4-2-3-5-17(12)24-20(25)19(28-21(24)27)11-14-7-9-18(26-14)13-6-8-16(23)15(22)10-13/h2-11H,1H3/b19-11+
InChIKeyQIDABOJBUHOQAM-YBFXNURJSA-N
XLogP6.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.93
LogP ≤ 56.45
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-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-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871813
(5E)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297277
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2288039
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328225
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3122920
2-chloro-4-[5-[(Z)-[3-(2-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126352855
2-chloro-4-[5-[(E)-[3-(2,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126357691
(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809392
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2287822
5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1202908
3-(3-chloro-4-fluorophenyl)-5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5057765
(5Z)-3-(3-chloro-4-fluorophenyl)-5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126187296

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 50874194) is (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S.
What is the InChIKey of (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QIDABOJBUHOQAM-YBFXNURJSA-N. The full InChI is InChI=1S/C21H13ClFNO2S2/c1-12-4-2-3-5-17(12)24-20(25)19(28-21(24)27)11-14-7-9-18(26-14)13-6-8-16(23)15(22)10-13/h2-11H,1H3/b19-11+.
What are the key properties of (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 429.93 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 50874194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).