3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one

C7H9N5OS — CID 1485048

IUPAC3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1=Nn1cnnc1
InChIInChI=1S/C7H9N5OS/c1-2-12-6(13)3-14-7(12)10-11-4-8-9-5-11/h4-5H,2-3H2,1H3
InChIKeyQZMYEHWXWVMHMA-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.01
Rot. Bonds2

About 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one

3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one (PubChem CID 1485048) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
PubChem CID1485048
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1=Nn1cnnc1
InChIInChI=1S/C7H9N5OS/c1-2-12-6(13)3-14-7(12)10-11-4-8-9-5-11/h4-5H,2-3H2,1H3
InChIKeyQZMYEHWXWVMHMA-UHFFFAOYSA-N
XLogP-0.01
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one (CID 1485048) is 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one is CCN1C(=O)CSC1=Nn1cnnc1.
What is the InChIKey of 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is QZMYEHWXWVMHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-2-12-6(13)3-14-7(12)10-11-4-8-9-5-11/h4-5H,2-3H2,1H3.
What are the key properties of 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one?
3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 211.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1485048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).