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

C17H16BrNOS — CID 90676011

IUPAC2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1CCc1ccccc1
InChIInChI=1S/C17H16BrNOS/c18-15-8-4-7-14(11-15)17-19(16(20)12-21-17)10-9-13-5-2-1-3-6-13/h1-8,11,17H,9-10,12H2
InChIKeyDDGPLNJTXLQBLL-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.27
Rot. Bonds4

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

2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 90676011) has the molecular formula C17H16BrNOS and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID90676011
Molecular FormulaC17H16BrNOS
Molecular Weight362.29 g/mol
Exact Mass361.01
IUPAC Name2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1CCc1ccccc1
InChIInChI=1S/C17H16BrNOS/c18-15-8-4-7-14(11-15)17-19(16(20)12-21-17)10-9-13-5-2-1-3-6-13/h1-8,11,17H,9-10,12H2
InChIKeyDDGPLNJTXLQBLL-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one (CID 90676011) is 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Br)c2)N1CCc1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is DDGPLNJTXLQBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNOS/c18-15-8-4-7-14(11-15)17-19(16(20)12-21-17)10-9-13-5-2-1-3-6-13/h1-8,11,17H,9-10,12H2.
What are the key properties of 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 362.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 90676011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).