5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

C8H16N4S2 — CID 112664330

IUPAC5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCSCC(C)N(C)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4S2/c1-6(5-13-3)12(2)4-7-10-11-8(9)14-7/h6H,4-5H2,1-3H3,(H2,9,11)
InChIKeyKZDCCTSQNUNOMG-UHFFFAOYSA-N
MW232.38 g/mol
LogP1.30
Rot. Bonds5

About 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 112664330) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID112664330
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCSCC(C)N(C)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4S2/c1-6(5-13-3)12(2)4-7-10-11-8(9)14-7/h6H,4-5H2,1-3H3,(H2,9,11)
InChIKeyKZDCCTSQNUNOMG-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 112664330) is 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is CSCC(C)N(C)Cc1nnc(N)s1.
What is the InChIKey of 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KZDCCTSQNUNOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-6(5-13-3)12(2)4-7-10-11-8(9)14-7/h6H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 232.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 112664330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).