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

C16H12BrF2NO2S — CID 6737644

IUPAC3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(OC(F)F)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C16H12BrF2NO2S/c17-11-3-5-12(6-4-11)20-14(21)9-23-15(20)10-1-7-13(8-2-10)22-16(18)19/h1-8,15-16H,9H2
InChIKeyQQVXWWUIIXUOQU-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.83
Rot. Bonds4

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

3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 6737644) has the molecular formula C16H12BrF2NO2S and a molecular weight of 400.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID6737644
Molecular FormulaC16H12BrF2NO2S
Molecular Weight400.24 g/mol
Exact Mass398.97
IUPAC Name3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(OC(F)F)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C16H12BrF2NO2S/c17-11-3-5-12(6-4-11)20-14(21)9-23-15(20)10-1-7-13(8-2-10)22-16(18)19/h1-8,15-16H,9H2
InChIKeyQQVXWWUIIXUOQU-UHFFFAOYSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.83
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-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 6737644) is 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(OC(F)F)cc2)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QQVXWWUIIXUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2NO2S/c17-11-3-5-12(6-4-11)20-14(21)9-23-15(20)10-1-7-13(8-2-10)22-16(18)19/h1-8,15-16H,9H2.
What are the key properties of 3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-(4-bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 400.24 g/mol, XLogP of 4.83, 4 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-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6737644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).