(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C21H15NO3S — CID 18809392

IUPAC(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C21H15NO3S/c1-14-7-5-6-10-17(14)22-20(23)19(26-21(22)24)13-16-11-12-18(25-16)15-8-3-2-4-9-15/h2-13H,1H3/b19-13-
InChIKeyGFKGSOPMLAHRJA-UYRXBGFRSA-N
MW361.42 g/mol
LogP5.50
Rot. Bonds3

About (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18809392) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18809392
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C21H15NO3S/c1-14-7-5-6-10-17(14)22-20(23)19(26-21(22)24)13-16-11-12-18(25-16)15-8-3-2-4-9-15/h2-13H,1H3/b19-13-
InChIKeyGFKGSOPMLAHRJA-UYRXBGFRSA-N
XLogP5.50
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.50
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

(5E)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297277
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59681883
(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18809434
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871813
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5E)-3-(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836679
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839977
(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50874194
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328225
(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1290511
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837208

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18809392) is (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O.
What is the InChIKey of (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GFKGSOPMLAHRJA-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H15NO3S/c1-14-7-5-6-10-17(14)22-20(23)19(26-21(22)24)13-16-11-12-18(25-16)15-8-3-2-4-9-15/h2-13H,1H3/b19-13-.
What are the key properties of (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 361.42 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18809392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).