(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

C22H13ClF3NO3S — CID 18809434

IUPAC(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C1=O
InChIInChI=1S/C22H13ClF3NO3S/c1-12-4-2-3-5-17(12)27-20(28)19(31-21(27)29)11-14-7-9-18(30-14)15-10-13(22(24,25)26)6-8-16(15)23/h2-11H,1H3/b19-11-
InChIKeyRMMPFYKWEHKYCG-ODLFYWEKSA-N
MW463.86 g/mol
LogP7.17
Rot. Bonds3

About (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18809434) has the molecular formula C22H13ClF3NO3S and a molecular weight of 463.86 g/mol. Its IUPAC name is (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18809434
Molecular FormulaC22H13ClF3NO3S
Molecular Weight463.86 g/mol
Exact Mass463.03
IUPAC Name(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C1=O
InChIInChI=1S/C22H13ClF3NO3S/c1-12-4-2-3-5-17(12)27-20(28)19(31-21(27)29)11-14-7-9-18(30-14)15-10-13(22(24,25)26)6-8-16(15)23/h2-11H,1H3/b19-11-
InChIKeyRMMPFYKWEHKYCG-ODLFYWEKSA-N
XLogP7.17
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.86
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809392
(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137059963
5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 134093711
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871813
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839977
(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1290511
5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4710503
(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50874194
(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840438
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840354
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837208
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 50871007

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 18809434) is (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RMMPFYKWEHKYCG-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H13ClF3NO3S/c1-12-4-2-3-5-17(12)27-20(28)19(31-21(27)29)11-14-7-9-18(30-14)15-10-13(22(24,25)26)6-8-16(15)23/h2-11H,1H3/b19-11-.
What are the key properties of (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 463.86 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18809434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).