4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione

C8H10N4OS — CID 842950

IUPAC4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(-c2cc(C)on2)n[nH]c1=S
InChIInChI=1S/C8H10N4OS/c1-3-12-7(9-10-8(12)14)6-4-5(2)13-11-6/h4H,3H2,1-2H3,(H,10,14)
InChIKeyAENYQAYVFQGISD-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.92
Rot. Bonds2

About 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione

4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 842950) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione
PubChem CID842950
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(-c2cc(C)on2)n[nH]c1=S
InChIInChI=1S/C8H10N4OS/c1-3-12-7(9-10-8(12)14)6-4-5(2)13-11-6/h4H,3H2,1-2H3,(H,10,14)
InChIKeyAENYQAYVFQGISD-UHFFFAOYSA-N
XLogP1.92
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione (CID 842950) is 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione is CCn1c(-c2cc(C)on2)n[nH]c1=S.
What is the InChIKey of 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is AENYQAYVFQGISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-3-12-7(9-10-8(12)14)6-4-5(2)13-11-6/h4H,3H2,1-2H3,(H,10,14).
What are the key properties of 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione?
4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 210.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 842950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).