N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine

C9H16N4S — CID 130855954

IUPACN-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CN2CCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-2-10-9-11-8(12-14-9)7-13-5-3-4-6-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyZTQMZONDSOHJNY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130855954) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID130855954
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CN2CCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-2-10-9-11-8(12-14-9)7-13-5-3-4-6-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyZTQMZONDSOHJNY-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 130855954) is N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CN2CCCC2)ns1.
What is the InChIKey of N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZTQMZONDSOHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-10-9-11-8(12-14-9)7-13-5-3-4-6-13/h2-7H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.57, 4 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-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130855954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).