3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine

C8H14N4S — CID 65268100

IUPAC3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN(C)C2)n1
InChIInChI=1S/C8H14N4S/c1-6-9-8(13-11-6)10-7-3-4-12(2)5-7/h7H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyCTJYABBELZVZIX-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds2

About 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268100) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268100
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN(C)C2)n1
InChIInChI=1S/C8H14N4S/c1-6-9-8(13-11-6)10-7-3-4-12(2)5-7/h7H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyCTJYABBELZVZIX-UHFFFAOYSA-N
XLogP0.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine (CID 65268100) is 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCN(C)C2)n1.
What is the InChIKey of 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CTJYABBELZVZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-9-8(13-11-6)10-7-3-4-12(2)5-7/h7H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).