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

C12H10BrNO4S — CID 2275775

IUPAC(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O
InChIInChI=1S/C12H10BrNO4S/c1-14-11(16)10(19-12(14)17)4-6-3-9(18-2)8(15)5-7(6)13/h3-5,15H,1-2H3/b10-4-
InChIKeyCOUSRFONLIGCFQ-WMZJFQQLSA-N
MW344.19 g/mol
LogP2.83
Rot. Bonds2

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

(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 2275775) has the molecular formula C12H10BrNO4S and a molecular weight of 344.19 g/mol. Its IUPAC name is (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID2275775
Molecular FormulaC12H10BrNO4S
Molecular Weight344.19 g/mol
Exact Mass342.95
IUPAC Name(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O
InChIInChI=1S/C12H10BrNO4S/c1-14-11(16)10(19-12(14)17)4-6-3-9(18-2)8(15)5-7(6)13/h3-5,15H,1-2H3/b10-4-
InChIKeyCOUSRFONLIGCFQ-WMZJFQQLSA-N
XLogP2.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-ethyl-2-(ethylimino)-1,3-thiazolidin-4-one
CID 1821182
5-(2-Bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-2-(ethylimino)-1,3-thiazolidin-4-one
CID 1778303
(5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-3-methyl-1,3-thiazolidine-2,4-dione
CID 1348943
5-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1731078
Topoisomerase I/II inhibitor 8
CID 5927074
(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17186137
(5Z)-5-[(2-bromo-3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140896909
(5Z)-5-[(2-bromo-4-hydroxy-5-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140896910
(5Z)-5-[[2-bromo-4-hydroxy-5-[(2-oxo-1H-pyridin-4-yl)methoxy]phenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140896937
(5Z)-5-[[2-bromo-4-hydroxy-5-[(6-oxo-1H-pyridin-3-yl)methoxy]phenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897073
(5Z)-5-[(4-hydroxy-5-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897181
(5Z)-5-[[2-bromo-4-hydroxy-5-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897194

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 2275775) is (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O.
What is the InChIKey of (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is COUSRFONLIGCFQ-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H10BrNO4S/c1-14-11(16)10(19-12(14)17)4-6-3-9(18-2)8(15)5-7(6)13/h3-5,15H,1-2H3/b10-4-.
What are the key properties of (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 344.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2275775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).