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

C14H8BrNO3S — CID 1205382

IUPAC(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)S1
InChIInChI=1S/C14H8BrNO3S/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7-
InChIKeyQZGIBSQRUJENCA-GHXNOFRVSA-N
MW350.19 g/mol
LogP4.03
Rot. Bonds2

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

(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1205382) has the molecular formula C14H8BrNO3S and a molecular weight of 350.19 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1205382
Molecular FormulaC14H8BrNO3S
Molecular Weight350.19 g/mol
Exact Mass348.94
IUPAC Name(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)S1
InChIInChI=1S/C14H8BrNO3S/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7-
InChIKeyQZGIBSQRUJENCA-GHXNOFRVSA-N
XLogP4.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 1205382) is (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QZGIBSQRUJENCA-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H8BrNO3S/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7-.
What are the key properties of (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 350.19 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1205382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).