(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione

C12H7NO3S — CID 87217342

IUPAC(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cccc3ccoc23)S1
InChIInChI=1S/C12H7NO3S/c14-11-9(17-12(15)13-11)6-8-3-1-2-7-4-5-16-10(7)8/h1-6H,(H,13,14,15)/b9-6+
InChIKeyRMGVUUACAPEVFM-RMKNXTFCSA-N
MW245.26 g/mol
LogP2.76
Rot. Bonds1

About (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 87217342) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID87217342
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Name(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cccc3ccoc23)S1
InChIInChI=1S/C12H7NO3S/c14-11-9(17-12(15)13-11)6-8-3-1-2-7-4-5-16-10(7)8/h1-6H,(H,13,14,15)/b9-6+
InChIKeyRMGVUUACAPEVFM-RMKNXTFCSA-N
XLogP2.76
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.76
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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Related Compounds

(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 89110146
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2852002
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 156538731
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
5-[(3-chloro-2-piperazin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 76782327
(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87224542
5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844239

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 87217342) is (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cccc3ccoc23)S1.
What is the InChIKey of (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is RMGVUUACAPEVFM-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H7NO3S/c14-11-9(17-12(15)13-11)6-8-3-1-2-7-4-5-16-10(7)8/h1-6H,(H,13,14,15)/b9-6+.
What are the key properties of (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 245.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87217342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).