5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine

C8H13N3OS — CID 103558415

IUPAC5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
SMILESCOC1(Cc2nc(N)ns2)CCC1
InChIInChI=1S/C8H13N3OS/c1-12-8(3-2-4-8)5-6-10-7(9)11-13-6/h2-5H2,1H3,(H2,9,11)
InChIKeyHEBOTGLPWQJHPH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.23
Rot. Bonds3

About 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine

5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine (PubChem CID 103558415) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
PubChem CID103558415
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
SMILESCOC1(Cc2nc(N)ns2)CCC1
InChIInChI=1S/C8H13N3OS/c1-12-8(3-2-4-8)5-6-10-7(9)11-13-6/h2-5H2,1H3,(H2,9,11)
InChIKeyHEBOTGLPWQJHPH-UHFFFAOYSA-N
XLogP1.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine (CID 103558415) is 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine is COC1(Cc2nc(N)ns2)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is HEBOTGLPWQJHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-12-8(3-2-4-8)5-6-10-7(9)11-13-6/h2-5H2,1H3,(H2,9,11).
What are the key properties of 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine has a molecular weight of 199.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 103558415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).