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

C12H17NO2S2 — CID 3870243

IUPAC3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1sccc1C
InChIInChI=1S/C12H17NO2S2/c1-3-15-6-5-13-10(14)8-17-12(13)11-9(2)4-7-16-11/h4,7,12H,3,5-6,8H2,1-2H3
InChIKeyJFBSDSUEYULSNV-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.67
Rot. Bonds5

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

3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 3870243) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID3870243
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1sccc1C
InChIInChI=1S/C12H17NO2S2/c1-3-15-6-5-13-10(14)8-17-12(13)11-9(2)4-7-16-11/h4,7,12H,3,5-6,8H2,1-2H3
InChIKeyJFBSDSUEYULSNV-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.67
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-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
CID 42814605
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 42795848
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
N-ethyl-2-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42815205
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3773919
2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3875123
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3875125
3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3846130
2-(3-bromo-4-fluorophenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3855786
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one (CID 3870243) is 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one is CCOCCN1C(=O)CSC1c1sccc1C.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is JFBSDSUEYULSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-3-15-6-5-13-10(14)8-17-12(13)11-9(2)4-7-16-11/h4,7,12H,3,5-6,8H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 271.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3870243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).