1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine

C8H13N3S — CID 130545566

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine
SMILESCCc1nsc(C2(N)CCC2)n1
InChIInChI=1S/C8H13N3S/c1-2-6-10-7(12-11-6)8(9)4-3-5-8/h2-5,9H2,1H3
InChIKeyHJLDNUIQMUGXNV-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine

1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine (PubChem CID 130545566) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine
PubChem CID130545566
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine
SMILESCCc1nsc(C2(N)CCC2)n1
InChIInChI=1S/C8H13N3S/c1-2-6-10-7(12-11-6)8(9)4-3-5-8/h2-5,9H2,1H3
InChIKeyHJLDNUIQMUGXNV-UHFFFAOYSA-N
XLogP1.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine (CID 130545566) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine is CCc1nsc(C2(N)CCC2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine?
The InChIKey is HJLDNUIQMUGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-6-10-7(12-11-6)8(9)4-3-5-8/h2-5,9H2,1H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 130545566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).