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

C15H10BrCl2NOS — CID 3094655

IUPAC3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1
InChIInChI=1S/C15H10BrCl2NOS/c16-9-1-4-11(5-2-9)19-14(20)8-21-15(19)12-6-3-10(17)7-13(12)18/h1-7,15H,8H2
InChIKeyTWRCSHLJALVLBP-UHFFFAOYSA-N
MW403.13 g/mol
LogP5.53
Rot. Bonds2

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

3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 3094655) has the molecular formula C15H10BrCl2NOS and a molecular weight of 403.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID3094655
Molecular FormulaC15H10BrCl2NOS
Molecular Weight403.13 g/mol
Exact Mass400.90
IUPAC Name3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1
InChIInChI=1S/C15H10BrCl2NOS/c16-9-1-4-11(5-2-9)19-14(20)8-21-15(19)12-6-3-10(17)7-13(12)18/h1-7,15H,8H2
InChIKeyTWRCSHLJALVLBP-UHFFFAOYSA-N
XLogP5.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.13
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one (CID 3094655) is 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is TWRCSHLJALVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NOS/c16-9-1-4-11(5-2-9)19-14(20)8-21-15(19)12-6-3-10(17)7-13(12)18/h1-7,15H,8H2.
What are the key properties of 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one?
3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 403.13 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3094655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).