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

C11H14BrNO2S2 — CID 3773919

IUPAC2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1ccc(Br)s1
InChIInChI=1S/C11H14BrNO2S2/c1-2-15-6-5-13-10(14)7-16-11(13)8-3-4-9(12)17-8/h3-4,11H,2,5-7H2,1H3
InChIKeyXSAOVDGNKULBQD-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.12
Rot. Bonds5

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

2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 3773919) has the molecular formula C11H14BrNO2S2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
PubChem CID3773919
Molecular FormulaC11H14BrNO2S2
Molecular Weight336.28 g/mol
Exact Mass334.96
IUPAC Name2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1ccc(Br)s1
InChIInChI=1S/C11H14BrNO2S2/c1-2-15-6-5-13-10(14)7-16-11(13)8-3-4-9(12)17-8/h3-4,11H,2,5-7H2,1H3
InChIKeyXSAOVDGNKULBQD-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
2-(3-bromo-4-fluorophenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3855786
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3870243
2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3792645
2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
CID 4986454
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5191424
2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 74229535
3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3846130
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one (CID 3773919) is 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one is CCOCCN1C(=O)CSC1c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is XSAOVDGNKULBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S2/c1-2-15-6-5-13-10(14)7-16-11(13)8-3-4-9(12)17-8/h3-4,11H,2,5-7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 336.28 g/mol, XLogP of 3.12, 5 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-ethoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3773919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).