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

C11H8BrNO2S — CID 2276150

IUPAC(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2ccccc2Br)C1=O
InChIInChI=1S/C11H8BrNO2S/c1-13-10(14)9(16-11(13)15)6-7-4-2-3-5-8(7)12/h2-6H,1H3/b9-6-
InChIKeyKADFPNPDYHWZKT-TWGQIWQCSA-N
MW298.16 g/mol
LogP3.12
Rot. Bonds1

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

(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 2276150) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID2276150
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2ccccc2Br)C1=O
InChIInChI=1S/C11H8BrNO2S/c1-13-10(14)9(16-11(13)15)6-7-4-2-3-5-8(7)12/h2-6H,1H3/b9-6-
InChIKeyKADFPNPDYHWZKT-TWGQIWQCSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2-bromophenyl)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

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 19260734
(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897254
methyl 2-[2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 93052871
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200968
(5Z)-5-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 2275777
(5Z)-5-[(2-bromophenyl)methylidene]-3-[(1R)-1-phenylethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40963157
(5Z)-3-methyl-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1340836
(5E)-5-[(2-bromophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664015
(5Z)-5-[(2-bromophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7032791
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59681883
(5E)-5-[(2-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2203940

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 2276150) is (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)S/C(=C\c2ccccc2Br)C1=O.
What is the InChIKey of (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is KADFPNPDYHWZKT-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c1-13-10(14)9(16-11(13)15)6-7-4-2-3-5-8(7)12/h2-6H,1H3/b9-6-.
What are the key properties of (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 298.16 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2276150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).