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

C14H9NO3S2 — CID 1275695

IUPAC(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1
InChIInChI=1S/C14H9NO3S2/c16-13-11(20-14(17)15-13)8-9-6-7-12(18-9)19-10-4-2-1-3-5-10/h1-8H,(H,15,16,17)/b11-8-
InChIKeyQWUHDPBPCOIUFU-FLIBITNWSA-N
MW303.36 g/mol
LogP3.75
Rot. Bonds3

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

(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1275695) has the molecular formula C14H9NO3S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1275695
Molecular FormulaC14H9NO3S2
Molecular Weight303.36 g/mol
Exact Mass303.00
IUPAC Name(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1
InChIInChI=1S/C14H9NO3S2/c16-13-11(20-14(17)15-13)8-9-6-7-12(18-9)19-10-4-2-1-3-5-10/h1-8H,(H,15,16,17)/b11-8-
InChIKeyQWUHDPBPCOIUFU-FLIBITNWSA-N
XLogP3.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1275695) is (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1.
What is the InChIKey of (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QWUHDPBPCOIUFU-FLIBITNWSA-N. The full InChI is InChI=1S/C14H9NO3S2/c16-13-11(20-14(17)15-13)8-9-6-7-12(18-9)19-10-4-2-1-3-5-10/h1-8H,(H,15,16,17)/b11-8-.
What are the key properties of (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1275695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).