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

C8H4BrNO2S2 — CID 56949754

IUPAC(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2sccc2Br)S1
InChIInChI=1S/C8H4BrNO2S2/c9-4-1-2-13-5(4)3-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12)/b6-3-
InChIKeyAQURSPUVUIZZMI-UTCJRWHESA-N
MW290.16 g/mol
LogP2.83
Rot. Bonds1

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

(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 56949754) has the molecular formula C8H4BrNO2S2 and a molecular weight of 290.16 g/mol. Its IUPAC name is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID56949754
Molecular FormulaC8H4BrNO2S2
Molecular Weight290.16 g/mol
Exact Mass288.89
IUPAC Name(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2sccc2Br)S1
InChIInChI=1S/C8H4BrNO2S2/c9-4-1-2-13-5(4)3-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12)/b6-3-
InChIKeyAQURSPUVUIZZMI-UTCJRWHESA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.83
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-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 56949754) is (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2sccc2Br)S1.
What is the InChIKey of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is AQURSPUVUIZZMI-UTCJRWHESA-N. The full InChI is InChI=1S/C8H4BrNO2S2/c9-4-1-2-13-5(4)3-6-7(11)10-8(12)14-6/h1-3H,(H,10,11,12)/b6-3-.
What are the key properties of (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 290.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 56949754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).