3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine

C9H16N4S — CID 65267875

IUPAC3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCN2CCCC2)n1
InChIInChI=1S/C9H16N4S/c1-8-11-9(14-12-8)10-4-7-13-5-2-3-6-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyDNBWBORXUPJYLZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.35
Rot. Bonds4

About 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267875) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267875
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCN2CCCC2)n1
InChIInChI=1S/C9H16N4S/c1-8-11-9(14-12-8)10-4-7-13-5-2-3-6-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyDNBWBORXUPJYLZ-UHFFFAOYSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine (CID 65267875) is 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCN2CCCC2)n1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DNBWBORXUPJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-8-11-9(14-12-8)10-4-7-13-5-2-3-6-13/h2-7H2,1H3,(H,10,11,12).
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).