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

C15H10Br2N2OS — CID 2385868

IUPAC3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Br)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C15H10Br2N2OS/c16-10-1-5-12(6-2-10)18-15-19(14(20)9-21-15)13-7-3-11(17)4-8-13/h1-8H,9H2/b18-15-
InChIKeyHQMWNCPUQKKBKD-SDXDJHTJSA-N
MW426.13 g/mol
LogP4.98
Rot. Bonds2

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

3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 2385868) has the molecular formula C15H10Br2N2OS and a molecular weight of 426.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
PubChem CID2385868
Molecular FormulaC15H10Br2N2OS
Molecular Weight426.13 g/mol
Exact Mass423.89
IUPAC Name3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Br)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C15H10Br2N2OS/c16-10-1-5-12(6-2-10)18-15-19(14(20)9-21-15)13-7-3-11(17)4-8-13/h1-8H,9H2/b18-15-
InChIKeyHQMWNCPUQKKBKD-SDXDJHTJSA-N
XLogP4.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.13
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one (CID 2385868) is 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(Br)cc2)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is HQMWNCPUQKKBKD-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10Br2N2OS/c16-10-1-5-12(6-2-10)18-15-19(14(20)9-21-15)13-7-3-11(17)4-8-13/h1-8H,9H2/b18-15-.
What are the key properties of 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 426.13 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2385868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).