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

C4H6N2S — CID 13028086

IUPAC3,5-dimethyl-1,2,4-thiadiazole
SMILESCc1nsc(C)n1
InChIInChI=1S/C4H6N2S/c1-3-5-4(2)7-6-3/h1-2H3
InChIKeyMPBPVACPFBSAFW-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.15
Rot. Bonds

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

3,5-dimethyl-1,2,4-thiadiazole (PubChem CID 13028086) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-thiadiazole
PubChem CID13028086
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name3,5-dimethyl-1,2,4-thiadiazole
SMILESCc1nsc(C)n1
InChIInChI=1S/C4H6N2S/c1-3-5-4(2)7-6-3/h1-2H3
InChIKeyMPBPVACPFBSAFW-UHFFFAOYSA-N
XLogP1.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-thiadiazole?
The IUPAC name of 3,5-dimethyl-1,2,4-thiadiazole (CID 13028086) is 3,5-dimethyl-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-thiadiazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-thiadiazole is Cc1nsc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-thiadiazole?
The InChIKey is MPBPVACPFBSAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-3-5-4(2)7-6-3/h1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-thiadiazole?
3,5-dimethyl-1,2,4-thiadiazole has a molecular weight of 114.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-thiadiazole is sourced from PubChem (CID 13028086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).