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

C10H6BrNO3S — CID 28946386

IUPAC(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1
InChIInChI=1S/C10H6BrNO3S/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-
InChIKeyPSQSTFZMHNPPMY-YWEYNIOJSA-N
MW300.13 g/mol
LogP2.48
Rot. Bonds1

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

(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 28946386) has the molecular formula C10H6BrNO3S and a molecular weight of 300.13 g/mol. Its IUPAC name is (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID28946386
Molecular FormulaC10H6BrNO3S
Molecular Weight300.13 g/mol
Exact Mass298.93
IUPAC Name(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1
InChIInChI=1S/C10H6BrNO3S/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-
InChIKeyPSQSTFZMHNPPMY-YWEYNIOJSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.48
H-Bond Donors ≤ 52
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-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 28946386) is (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1.
What is the InChIKey of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PSQSTFZMHNPPMY-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H6BrNO3S/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-.
What are the key properties of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 300.13 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 28946386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).