2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one

C14H10BrF2NOS2 — CID 74229535

IUPAC2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1Cc1c(F)cccc1F
InChIInChI=1S/C14H10BrF2NOS2/c15-12-5-4-11(21-12)14-18(13(19)7-20-14)6-8-9(16)2-1-3-10(8)17/h1-5,14H,6-7H2
InChIKeyZJEHGGBTCXWIKH-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.56
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 74229535) has the molecular formula C14H10BrF2NOS2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID74229535
Molecular FormulaC14H10BrF2NOS2
Molecular Weight390.27 g/mol
Exact Mass388.94
IUPAC Name2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1Cc1c(F)cccc1F
InChIInChI=1S/C14H10BrF2NOS2/c15-12-5-4-11(21-12)14-18(13(19)7-20-14)6-8-9(16)2-1-3-10(8)17/h1-5,14H,6-7H2
InChIKeyZJEHGGBTCXWIKH-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 74229535) is 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)s2)N1Cc1c(F)cccc1F.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ZJEHGGBTCXWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS2/c15-12-5-4-11(21-12)14-18(13(19)7-20-14)6-8-9(16)2-1-3-10(8)17/h1-5,14H,6-7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 390.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 74229535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).