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

C5H12N2S — CID 12731768

IUPAC2,5-dimethyl-1,3,4-thiadiazinane
SMILESCC1CSC(C)NN1
InChIInChI=1S/C5H12N2S/c1-4-3-8-5(2)7-6-4/h4-7H,3H2,1-2H3
InChIKeyKPYQDHQTRILZBI-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.56
Rot. Bonds

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

2,5-dimethyl-1,3,4-thiadiazinane (PubChem CID 12731768) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-thiadiazinane.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-thiadiazinane
PubChem CID12731768
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2,5-dimethyl-1,3,4-thiadiazinane
SMILESCC1CSC(C)NN1
InChIInChI=1S/C5H12N2S/c1-4-3-8-5(2)7-6-4/h4-7H,3H2,1-2H3
InChIKeyKPYQDHQTRILZBI-UHFFFAOYSA-N
XLogP0.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-thiadiazinane?
The IUPAC name of 2,5-dimethyl-1,3,4-thiadiazinane (CID 12731768) is 2,5-dimethyl-1,3,4-thiadiazinane.
What is the SMILES notation for 2,5-dimethyl-1,3,4-thiadiazinane?
The canonical SMILES for 2,5-dimethyl-1,3,4-thiadiazinane is CC1CSC(C)NN1.
What is the InChIKey of 2,5-dimethyl-1,3,4-thiadiazinane?
The InChIKey is KPYQDHQTRILZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4-3-8-5(2)7-6-4/h4-7H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-thiadiazinane?
2,5-dimethyl-1,3,4-thiadiazinane has a molecular weight of 132.23 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-thiadiazinane is sourced from PubChem (CID 12731768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).