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

C9H8BrNOS — CID 1478389

IUPAC3-(4-bromophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)11-6-13-5-9(11)12/h1-4H,5-6H2
InChIKeyLLSPTZFYPJPSCT-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.49
Rot. Bonds1

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

3-(4-bromophenyl)-1,3-thiazolidin-4-one (PubChem CID 1478389) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,3-thiazolidin-4-one
PubChem CID1478389
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name3-(4-bromophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)11-6-13-5-9(11)12/h1-4H,5-6H2
InChIKeyLLSPTZFYPJPSCT-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromophenyl)-1,3-thiazolidin-4-one (CID 1478389) is 3-(4-bromophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-1,3-thiazolidin-4-one is O=C1CSCN1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1,3-thiazolidin-4-one?
The InChIKey is LLSPTZFYPJPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)11-6-13-5-9(11)12/h1-4H,5-6H2.
What are the key properties of 3-(4-bromophenyl)-1,3-thiazolidin-4-one?
3-(4-bromophenyl)-1,3-thiazolidin-4-one has a molecular weight of 258.14 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1478389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).