2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C14H11BrFNOS2 — CID 3781919

IUPAC2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2sccc2Br)N1Cc1ccccc1F
InChIInChI=1S/C14H11BrFNOS2/c15-10-5-6-19-13(10)14-17(12(18)8-20-14)7-9-3-1-2-4-11(9)16/h1-6,14H,7-8H2
InChIKeyWXIUJUHPANEQLE-UHFFFAOYSA-N
MW372.28 g/mol
LogP4.42
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3781919) has the molecular formula C14H11BrFNOS2 and a molecular weight of 372.28 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3781919
Molecular FormulaC14H11BrFNOS2
Molecular Weight372.28 g/mol
Exact Mass370.94
IUPAC Name2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2sccc2Br)N1Cc1ccccc1F
InChIInChI=1S/C14H11BrFNOS2/c15-10-5-6-19-13(10)14-17(12(18)8-20-14)7-9-3-1-2-4-11(9)16/h1-6,14H,7-8H2
InChIKeyWXIUJUHPANEQLE-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3781919) is 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2sccc2Br)N1Cc1ccccc1F.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is WXIUJUHPANEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS2/c15-10-5-6-19-13(10)14-17(12(18)8-20-14)7-9-3-1-2-4-11(9)16/h1-6,14H,7-8H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 372.28 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3781919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).