2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one

C10H9BrN2O2S — CID 3542516

IUPAC2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one
SMILESCON1C(=O)CS/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O2S/c1-15-13-9(14)6-16-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyWVZKGWGWQRVULK-BENRWUELSA-N
MW301.17 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one

2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one (PubChem CID 3542516) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one
PubChem CID3542516
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one
SMILESCON1C(=O)CS/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O2S/c1-15-13-9(14)6-16-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyWVZKGWGWQRVULK-BENRWUELSA-N
XLogP2.57
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one (CID 3542516) is 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one is CON1C(=O)CS/C1=N\c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one?
The InChIKey is WVZKGWGWQRVULK-BENRWUELSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-15-13-9(14)6-16-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-.
What are the key properties of 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one?
2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one has a molecular weight of 301.17 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imino-3-methoxy-1,3-thiazolidin-4-one is sourced from PubChem (CID 3542516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).