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

C15H11NO3S — CID 59681883

IUPAC(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C15H11NO3S/c1-16-14(17)13(20-15(16)18)9-11-7-8-12(19-11)10-5-3-2-4-6-10/h2-9H,1H3/b13-9-
InChIKeyOROAMDFMUMURRY-LCYFTJDESA-N
MW285.32 g/mol
LogP3.61
Rot. Bonds2

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

(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 59681883) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID59681883
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C15H11NO3S/c1-16-14(17)13(20-15(16)18)9-11-7-8-12(19-11)10-5-3-2-4-6-10/h2-9H,1H3/b13-9-
InChIKeyOROAMDFMUMURRY-LCYFTJDESA-N
XLogP3.61
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.61
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-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809392
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
2-chloro-4-[5-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2272684
propan-2-yl 2-[(5E)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 5455300
2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 6281902
(5E)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297277
(5Z)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 88888210
(5Z)-3-[(3-bromophenyl)methyl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126162836
(5E)-5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142878640
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754
(5E)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 6196458

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 59681883) is (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O.
What is the InChIKey of (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OROAMDFMUMURRY-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11NO3S/c1-16-14(17)13(20-15(16)18)9-11-7-8-12(19-11)10-5-3-2-4-6-10/h2-9H,1H3/b13-9-.
What are the key properties of (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 285.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59681883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).