2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one

C17H16BrNO3S — CID 5197080

IUPAC2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CS(=O)(=O)C2c2ccccc2Br)c1
InChIInChI=1S/C17H16BrNO3S/c1-11-7-12(2)9-13(8-11)19-16(20)10-23(21,22)17(19)14-5-3-4-6-15(14)18/h3-9,17H,10H2,1-2H3
InChIKeyINFAGCSIFDDOIH-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one

2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 5197080) has the molecular formula C17H16BrNO3S and a molecular weight of 394.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID5197080
Molecular FormulaC17H16BrNO3S
Molecular Weight394.29 g/mol
Exact Mass393.00
IUPAC Name2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CS(=O)(=O)C2c2ccccc2Br)c1
InChIInChI=1S/C17H16BrNO3S/c1-11-7-12(2)9-13(8-11)19-16(20)10-23(21,22)17(19)14-5-3-4-6-15(14)18/h3-9,17H,10H2,1-2H3
InChIKeyINFAGCSIFDDOIH-UHFFFAOYSA-N
XLogP3.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one (CID 5197080) is 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one is Cc1cc(C)cc(N2C(=O)CS(=O)(=O)C2c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is INFAGCSIFDDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S/c1-11-7-12(2)9-13(8-11)19-16(20)10-23(21,22)17(19)14-5-3-4-6-15(14)18/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 394.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(3,5-dimethylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 5197080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).