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

C18H14BrNO4S — CID 140897254

IUPAC(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1Oc1ccccc1
InChIInChI=1S/C18H14BrNO4S/c1-20-17(21)16(25-18(20)22)9-11-8-15(14(23-2)10-13(11)19)24-12-6-4-3-5-7-12/h3-10H,1-2H3/b16-9-
InChIKeyOKKGJTUWPNFWLU-SXGWCWSVSA-N
MW420.28 g/mol
LogP4.92
Rot. Bonds4

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

(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 140897254) has the molecular formula C18H14BrNO4S and a molecular weight of 420.28 g/mol. Its IUPAC name is (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID140897254
Molecular FormulaC18H14BrNO4S
Molecular Weight420.28 g/mol
Exact Mass418.98
IUPAC Name(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1Oc1ccccc1
InChIInChI=1S/C18H14BrNO4S/c1-20-17(21)16(25-18(20)22)9-11-8-15(14(23-2)10-13(11)19)24-12-6-4-3-5-7-12/h3-10H,1-2H3/b16-9-
InChIKeyOKKGJTUWPNFWLU-SXGWCWSVSA-N
XLogP4.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 126249063
5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 1233191
(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 2276150
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2262168
3-[[(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6163322
(5E)-5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-[(2S)-butan-2-yl]-1,3-thiazolidine-2,4-dione
CID 126025324
(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2176408
(5Z)-5-[[5-[(2-anilinopyrimidin-5-yl)methoxy]-2-bromo-4-hydroxyphenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897276
(5Z)-5-[(4-hydroxy-5-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897181
(5E)-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126197258
(5E)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18773001
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 1233058

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 140897254) is (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is COc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1Oc1ccccc1.
What is the InChIKey of (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is OKKGJTUWPNFWLU-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H14BrNO4S/c1-20-17(21)16(25-18(20)22)9-11-8-15(14(23-2)10-13(11)19)24-12-6-4-3-5-7-12/h3-10H,1-2H3/b16-9-.
What are the key properties of (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 420.28 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 140897254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).