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

C10H6BrNO2S — CID 1201120

IUPAC(5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Br)c2)S1
InChIInChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKeyULWSONREDISANN-YVMONPNESA-N
MW284.13 g/mol
LogP2.77
Rot. Bonds1

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

(5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1201120) has the molecular formula C10H6BrNO2S and a molecular weight of 284.13 g/mol. Its IUPAC name is (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1201120
Molecular FormulaC10H6BrNO2S
Molecular Weight284.13 g/mol
Exact Mass282.93
IUPAC Name(5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Br)c2)S1
InChIInChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKeyULWSONREDISANN-YVMONPNESA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1201120) is (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc(Br)c2)S1.
What is the InChIKey of (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ULWSONREDISANN-YVMONPNESA-N. The full InChI is InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-.
What are the key properties of (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 284.13 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1201120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).