(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C8H4BrNO3S — CID 18773922

IUPAC(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Br)o2)S1
InChIInChI=1S/C8H4BrNO3S/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+
InChIKeyKVBCRNFQORADEB-HWKANZROSA-N
MW274.10 g/mol
LogP2.37
Rot. Bonds1

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

(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18773922) has the molecular formula C8H4BrNO3S and a molecular weight of 274.10 g/mol. Its IUPAC name is (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18773922
Molecular FormulaC8H4BrNO3S
Molecular Weight274.10 g/mol
Exact Mass272.91
IUPAC Name(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Br)o2)S1
InChIInChI=1S/C8H4BrNO3S/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+
InChIKeyKVBCRNFQORADEB-HWKANZROSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.37
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

5-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135486608
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136727980
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135563085
5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2872145
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1275695
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135563092
5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135519431
5-[(5-bromofuran-2-yl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523001
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2844127

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18773922) is (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Br)o2)S1.
What is the InChIKey of (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KVBCRNFQORADEB-HWKANZROSA-N. The full InChI is InChI=1S/C8H4BrNO3S/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+.
What are the key properties of (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 274.10 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18773922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).