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

C7H14N4S2 — CID 112667476

IUPAC5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCSCC(C)N(C)c1nc(N)ns1
InChIInChI=1S/C7H14N4S2/c1-5(4-12-3)11(2)7-9-6(8)10-13-7/h5H,4H2,1-3H3,(H2,8,10)
InChIKeyUFBUWPWTFLYNTE-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.31
Rot. Bonds4

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

5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 112667476) has the molecular formula C7H14N4S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID112667476
Molecular FormulaC7H14N4S2
Molecular Weight218.35 g/mol
Exact Mass218.07
IUPAC Name5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCSCC(C)N(C)c1nc(N)ns1
InChIInChI=1S/C7H14N4S2/c1-5(4-12-3)11(2)7-9-6(8)10-13-7/h5H,4H2,1-3H3,(H2,8,10)
InChIKeyUFBUWPWTFLYNTE-UHFFFAOYSA-N
XLogP1.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine (CID 112667476) is 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine is CSCC(C)N(C)c1nc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is UFBUWPWTFLYNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S2/c1-5(4-12-3)11(2)7-9-6(8)10-13-7/h5H,4H2,1-3H3,(H2,8,10).
What are the key properties of 5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 218.35 g/mol, XLogP of 1.31, 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-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 112667476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).