3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one

C11H16N2OS2 — CID 24715362

IUPAC3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESCCNCCN1C(=O)CSC1c1ccsc1
InChIInChI=1S/C11H16N2OS2/c1-2-12-4-5-13-10(14)8-16-11(13)9-3-6-15-7-9/h3,6-7,11-12H,2,4-5,8H2,1H3
InChIKeyFZARXTNYAWKSFK-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.93
Rot. Bonds5

About 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one

3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one (PubChem CID 24715362) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
PubChem CID24715362
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESCCNCCN1C(=O)CSC1c1ccsc1
InChIInChI=1S/C11H16N2OS2/c1-2-12-4-5-13-10(14)8-16-11(13)9-3-6-15-7-9/h3,6-7,11-12H,2,4-5,8H2,1H3
InChIKeyFZARXTNYAWKSFK-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methylsulfanyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 45811739
N-[1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 45814323
tert-butyl (4S)-4-(thiophen-3-ylmethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 53568662
N-(thiophen-3-ylmethyl)pivalamide
CID 25853990
N-(thiophen-3-ylmethyl)isobutyramide
CID 25854034
1-[4-(Thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 40004840
N1-propyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868744
N-(prop-2-en-1-yl)-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868746
N-ethyl-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868866
N1-isopropyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868868
N1-(tert-butyl)-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868870
2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45559677

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one (CID 24715362) is 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one is CCNCCN1C(=O)CSC1c1ccsc1.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The InChIKey is FZARXTNYAWKSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-2-12-4-5-13-10(14)8-16-11(13)9-3-6-15-7-9/h3,6-7,11-12H,2,4-5,8H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one?
3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one has a molecular weight of 256.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 24715362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).