3,4-dimethyl-1-methylidene-1,2,5-thiadiazole

C5H8N2S — CID 161447004

IUPAC3,4-dimethyl-1-methylidene-1,2,5-thiadiazole
SMILESC=S1N=C(C)C(C)=N1
InChIInChI=1S/C5H8N2S/c1-4-5(2)7-8(3)6-4/h3H2,1-2H3
InChIKeyWQAHBJNSUPKOTD-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.45
Rot. Bonds

About 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole

3,4-dimethyl-1-methylidene-1,2,5-thiadiazole (PubChem CID 161447004) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole.

Molecular Properties

Compound Name3,4-dimethyl-1-methylidene-1,2,5-thiadiazole
PubChem CID161447004
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name3,4-dimethyl-1-methylidene-1,2,5-thiadiazole
SMILESC=S1N=C(C)C(C)=N1
InChIInChI=1S/C5H8N2S/c1-4-5(2)7-8(3)6-4/h3H2,1-2H3
InChIKeyWQAHBJNSUPKOTD-UHFFFAOYSA-N
XLogP1.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole?
The IUPAC name of 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole (CID 161447004) is 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole.
What is the SMILES notation for 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole?
The canonical SMILES for 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole is C=S1N=C(C)C(C)=N1.
What is the InChIKey of 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole?
The InChIKey is WQAHBJNSUPKOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-5(2)7-8(3)6-4/h3H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole?
3,4-dimethyl-1-methylidene-1,2,5-thiadiazole has a molecular weight of 128.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-methylidene-1,2,5-thiadiazole is sourced from PubChem (CID 161447004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).