5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole

C7H10N2OS — CID 170191437

IUPAC5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole
SMILESC=C(OCC)c1nc(C)ns1
InChIInChI=1S/C7H10N2OS/c1-4-10-5(2)7-8-6(3)9-11-7/h2,4H2,1,3H3
InChIKeyIUBGDQCLASJMPA-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.85
Rot. Bonds3

About 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole

5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 170191437) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole
PubChem CID170191437
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole
SMILESC=C(OCC)c1nc(C)ns1
InChIInChI=1S/C7H10N2OS/c1-4-10-5(2)7-8-6(3)9-11-7/h2,4H2,1,3H3
InChIKeyIUBGDQCLASJMPA-UHFFFAOYSA-N
XLogP1.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Bromo-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
CID 122508744
3-(2-Ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 135170706
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183
3-Chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
CID 162686576
5-(1-Ethoxyethenyl)-1,2,4-thiadiazole
CID 175948159
Ethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669131
3-(1-Ethoxypropyl)-5-methyl-1,2,4-thiadiazole
CID 177332478

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole (CID 170191437) is 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole is C=C(OCC)c1nc(C)ns1.
What is the InChIKey of 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is IUBGDQCLASJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-10-5(2)7-8-6(3)9-11-7/h2,4H2,1,3H3.
What are the key properties of 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole?
5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 170.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 170191437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).