3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65271379

IUPAC3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCCN2CC)n1
InChIInChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-8-9-6-5-7-15(9)4-2/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyCFUJGVWGWYCDBS-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.00
Rot. Bonds5

About 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271379) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271379
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCCN2CC)n1
InChIInChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-8-9-6-5-7-15(9)4-2/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyCFUJGVWGWYCDBS-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271379) is 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CCCN2CC)n1.
What is the InChIKey of 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CFUJGVWGWYCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-8-9-6-5-7-15(9)4-2/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).