5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine

C6H12N4S2 — CID 112667474

IUPAC5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCSCCN(C)c1nc(N)ns1
InChIInChI=1S/C6H12N4S2/c1-10(3-4-11-2)6-8-5(7)9-12-6/h3-4H2,1-2H3,(H2,7,9)
InChIKeyWZDUPWAAUVEDSH-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.92
Rot. Bonds4

About 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 112667474) has the molecular formula C6H12N4S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID112667474
Molecular FormulaC6H12N4S2
Molecular Weight204.32 g/mol
Exact Mass204.05
IUPAC Name5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCSCCN(C)c1nc(N)ns1
InChIInChI=1S/C6H12N4S2/c1-10(3-4-11-2)6-8-5(7)9-12-6/h3-4H2,1-2H3,(H2,7,9)
InChIKeyWZDUPWAAUVEDSH-UHFFFAOYSA-N
XLogP0.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (CID 112667474) is 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is CSCCN(C)c1nc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is WZDUPWAAUVEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S2/c1-10(3-4-11-2)6-8-5(7)9-12-6/h3-4H2,1-2H3,(H2,7,9).
What are the key properties of 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 204.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 112667474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).