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

C8H16N4S2 — CID 112667475

IUPAC5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(CSC)N(C)c1nc(N)ns1
InChIInChI=1S/C8H16N4S2/c1-4-6(5-13-3)12(2)8-10-7(9)11-14-8/h6H,4-5H2,1-3H3,(H2,9,11)
InChIKeyGUGWDIDQHSTRAE-UHFFFAOYSA-N
MW232.38 g/mol
LogP1.70
Rot. Bonds5

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

5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 112667475) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID112667475
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(CSC)N(C)c1nc(N)ns1
InChIInChI=1S/C8H16N4S2/c1-4-6(5-13-3)12(2)8-10-7(9)11-14-8/h6H,4-5H2,1-3H3,(H2,9,11)
InChIKeyGUGWDIDQHSTRAE-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 51.70
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-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine (CID 112667475) is 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine is CCC(CSC)N(C)c1nc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is GUGWDIDQHSTRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-4-6(5-13-3)12(2)8-10-7(9)11-14-8/h6H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 232.38 g/mol, XLogP of 1.70, 5 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-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 112667475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).