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

C8H12N4S2 — CID 159576525

IUPAC3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole
SMILESCc1nsc(C)n1.Cc1nsnc1C
InChIInChI=1S/2C4H6N2S/c1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3/h2*1-2H3
InChIKeyMILZBFGUOSCZNC-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.31
Rot. Bonds

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

3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole (PubChem CID 159576525) has the molecular formula C8H12N4S2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole
PubChem CID159576525
Molecular FormulaC8H12N4S2
Molecular Weight228.35 g/mol
Exact Mass228.05
IUPAC Name3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole
SMILESCc1nsc(C)n1.Cc1nsnc1C
InChIInChI=1S/2C4H6N2S/c1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3/h2*1-2H3
InChIKeyMILZBFGUOSCZNC-UHFFFAOYSA-N
XLogP2.31
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole?
The IUPAC name of 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole (CID 159576525) is 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole.
What is the SMILES notation for 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole?
The canonical SMILES for 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole is Cc1nsc(C)n1.Cc1nsnc1C.
What is the InChIKey of 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole?
The InChIKey is MILZBFGUOSCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2S/c1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3/h2*1-2H3.
What are the key properties of 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole?
3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole has a molecular weight of 228.35 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,2,5-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole is sourced from PubChem (CID 159576525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).