2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one

C15H11BrINOS — CID 3279534

IUPAC2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1c1ccc(I)cc1
InChIInChI=1S/C15H11BrINOS/c16-11-3-1-2-10(8-11)15-18(14(19)9-20-15)13-6-4-12(17)5-7-13/h1-8,15H,9H2
InChIKeyNUJAJDDBAVOPDA-UHFFFAOYSA-N
MW460.13 g/mol
LogP4.83
Rot. Bonds2

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

2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one (PubChem CID 3279534) has the molecular formula C15H11BrINOS and a molecular weight of 460.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
PubChem CID3279534
Molecular FormulaC15H11BrINOS
Molecular Weight460.13 g/mol
Exact Mass458.88
IUPAC Name2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1c1ccc(I)cc1
InChIInChI=1S/C15H11BrINOS/c16-11-3-1-2-10(8-11)15-18(14(19)9-20-15)13-6-4-12(17)5-7-13/h1-8,15H,9H2
InChIKeyNUJAJDDBAVOPDA-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.13
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one (CID 3279534) is 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Br)c2)N1c1ccc(I)cc1.
What is the InChIKey of 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
The InChIKey is NUJAJDDBAVOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrINOS/c16-11-3-1-2-10(8-11)15-18(14(19)9-20-15)13-6-4-12(17)5-7-13/h1-8,15H,9H2.
What are the key properties of 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one has a molecular weight of 460.13 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3279534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).