1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone

C8H14N2OS — CID 135410181

IUPAC1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
SMILESCC/N=C1/NC(C)C(C(C)=O)S1
InChIInChI=1S/C8H14N2OS/c1-4-9-8-10-5(2)7(12-8)6(3)11/h5,7H,4H2,1-3H3,(H,9,10)
InChIKeyIUSARVHPEPERFW-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.04
Rot. Bonds2

About 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone

1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone (PubChem CID 135410181) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
PubChem CID135410181
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
SMILESCC/N=C1/NC(C)C(C(C)=O)S1
InChIInChI=1S/C8H14N2OS/c1-4-9-8-10-5(2)7(12-8)6(3)11/h5,7H,4H2,1-3H3,(H,9,10)
InChIKeyIUSARVHPEPERFW-UHFFFAOYSA-N
XLogP1.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone?
The IUPAC name of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone (CID 135410181) is 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone?
The canonical SMILES for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone is CC/N=C1/NC(C)C(C(C)=O)S1.
What is the InChIKey of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone?
The InChIKey is IUSARVHPEPERFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-4-9-8-10-5(2)7(12-8)6(3)11/h5,7H,4H2,1-3H3,(H,9,10).
What are the key properties of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone?
1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone has a molecular weight of 186.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone is sourced from PubChem (CID 135410181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).