N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine

C8H14N4S — CID 65268464

IUPACN-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(N2CCCC2)ns1
InChIInChI=1S/C8H14N4S/c1-2-9-8-10-7(11-13-8)12-5-3-4-6-12/h2-6H2,1H3,(H,9,10,11)
InChIKeyPIRJTQJELFITSX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds3

About N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine

N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268464) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268464
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(N2CCCC2)ns1
InChIInChI=1S/C8H14N4S/c1-2-9-8-10-7(11-13-8)12-5-3-4-6-12/h2-6H2,1H3,(H,9,10,11)
InChIKeyPIRJTQJELFITSX-UHFFFAOYSA-N
XLogP1.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine (CID 65268464) is N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine is CCNc1nc(N2CCCC2)ns1.
What is the InChIKey of N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PIRJTQJELFITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-9-8-10-7(11-13-8)12-5-3-4-6-12/h2-6H2,1H3,(H,9,10,11).
What are the key properties of N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).