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

C16H14BrNO2S — CID 71511686

IUPAC2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO2S/c1-20-14-8-3-2-7-13(14)18-15(19)10-21-16(18)11-5-4-6-12(17)9-11/h2-9,16H,10H2,1H3
InChIKeyHJFNHWZGKTWNSJ-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.24
Rot. Bonds3

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

2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 71511686) has the molecular formula C16H14BrNO2S and a molecular weight of 364.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID71511686
Molecular FormulaC16H14BrNO2S
Molecular Weight364.26 g/mol
Exact Mass362.99
IUPAC Name2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO2S/c1-20-14-8-3-2-7-13(14)18-15(19)10-21-16(18)11-5-4-6-12(17)9-11/h2-9,16H,10H2,1H3
InChIKeyHJFNHWZGKTWNSJ-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 71511686) is 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccccc1N1C(=O)CSC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is HJFNHWZGKTWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2S/c1-20-14-8-3-2-7-13(14)18-15(19)10-21-16(18)11-5-4-6-12(17)9-11/h2-9,16H,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 364.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71511686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).