3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

C16H13BrFNOS — CID 4127718

IUPAC3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H13BrFNOS/c1-10-7-13(5-6-14(10)17)19-15(20)9-21-16(19)11-3-2-4-12(18)8-11/h2-8,16H,9H2,1H3
InChIKeyBXTUWSBXENHHIX-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.68
Rot. Bonds2

About 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one

3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4127718) has the molecular formula C16H13BrFNOS and a molecular weight of 366.26 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4127718
Molecular FormulaC16H13BrFNOS
Molecular Weight366.26 g/mol
Exact Mass364.99
IUPAC Name3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2cccc(F)c2)ccc1Br
InChIInChI=1S/C16H13BrFNOS/c1-10-7-13(5-6-14(10)17)19-15(20)9-21-16(19)11-3-2-4-12(18)8-11/h2-8,16H,9H2,1H3
InChIKeyBXTUWSBXENHHIX-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (CID 4127718) is 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is Cc1cc(N2C(=O)CSC2c2cccc(F)c2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is BXTUWSBXENHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNOS/c1-10-7-13(5-6-14(10)17)19-15(20)9-21-16(19)11-3-2-4-12(18)8-11/h2-8,16H,9H2,1H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 366.26 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4127718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).