3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one

C17H17BrN2OS — CID 102344124

IUPAC3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2OS/c1-19(2)14-7-3-12(4-8-14)17-20(16(21)11-22-17)15-9-5-13(18)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyAYYXWVFJMMNUAW-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.29
Rot. Bonds3

About 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one

3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one (PubChem CID 102344124) has the molecular formula C17H17BrN2OS and a molecular weight of 377.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
PubChem CID102344124
Molecular FormulaC17H17BrN2OS
Molecular Weight377.31 g/mol
Exact Mass376.02
IUPAC Name3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2OS/c1-19(2)14-7-3-12(4-8-14)17-20(16(21)11-22-17)15-9-5-13(18)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyAYYXWVFJMMNUAW-UHFFFAOYSA-N
XLogP4.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one (CID 102344124) is 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one is CN(C)c1ccc(C2SCC(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is AYYXWVFJMMNUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2OS/c1-19(2)14-7-3-12(4-8-14)17-20(16(21)11-22-17)15-9-5-13(18)6-10-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
3-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 377.31 g/mol, XLogP of 4.29, 3 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-(dimethylamino)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 102344124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).