4-(cyclobutyloxymethyl)thiadiazol-5-amine

C7H11N3OS — CID 62190108

IUPAC4-(cyclobutyloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC1CCC1
InChIInChI=1S/C7H11N3OS/c8-7-6(9-10-12-7)4-11-5-2-1-3-5/h5H,1-4,8H2
InChIKeyQYDWXSOAVOGYSX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.19
Rot. Bonds3

About 4-(cyclobutyloxymethyl)thiadiazol-5-amine

4-(cyclobutyloxymethyl)thiadiazol-5-amine (PubChem CID 62190108) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(cyclobutyloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(cyclobutyloxymethyl)thiadiazol-5-amine
PubChem CID62190108
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-(cyclobutyloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC1CCC1
InChIInChI=1S/C7H11N3OS/c8-7-6(9-10-12-7)4-11-5-2-1-3-5/h5H,1-4,8H2
InChIKeyQYDWXSOAVOGYSX-UHFFFAOYSA-N
XLogP1.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutyloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(cyclobutyloxymethyl)thiadiazol-5-amine (CID 62190108) is 4-(cyclobutyloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(cyclobutyloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(cyclobutyloxymethyl)thiadiazol-5-amine is Nc1snnc1COC1CCC1.
What is the InChIKey of 4-(cyclobutyloxymethyl)thiadiazol-5-amine?
The InChIKey is QYDWXSOAVOGYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-7-6(9-10-12-7)4-11-5-2-1-3-5/h5H,1-4,8H2.
What are the key properties of 4-(cyclobutyloxymethyl)thiadiazol-5-amine?
4-(cyclobutyloxymethyl)thiadiazol-5-amine has a molecular weight of 185.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutyloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62190108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).