2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one

C14H13BrN2OS2 — CID 4986454

IUPAC2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1CCc1ccccn1
InChIInChI=1S/C14H13BrN2OS2/c15-12-5-4-11(20-12)14-17(13(18)9-19-14)8-6-10-3-1-2-7-16-10/h1-5,7,14H,6,8-9H2
InChIKeyQPDDPMVVDVRUMN-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.72
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one

2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 4986454) has the molecular formula C14H13BrN2OS2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID4986454
Molecular FormulaC14H13BrN2OS2
Molecular Weight369.31 g/mol
Exact Mass367.97
IUPAC Name2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1CCc1ccccn1
InChIInChI=1S/C14H13BrN2OS2/c15-12-5-4-11(20-12)14-17(13(18)9-19-14)8-6-10-3-1-2-7-16-10/h1-5,7,14H,6,8-9H2
InChIKeyQPDDPMVVDVRUMN-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-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

Related Compounds

3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 5113911
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3773919
2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5191424
3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one
CID 3684441
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3766722
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 3862622
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42814418
5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one
CID 131883873
2-(5-chlorothiophen-2-yl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
CID 3768895

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one (CID 4986454) is 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)s2)N1CCc1ccccn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is QPDDPMVVDVRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS2/c15-12-5-4-11(20-12)14-17(13(18)9-19-14)8-6-10-3-1-2-7-16-10/h1-5,7,14H,6,8-9H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 369.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).