[1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine

C8H13N3S — CID 130600300

IUPAC[1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2cnns2)CCC1
InChIInChI=1S/C8H13N3S/c9-6-8(2-1-3-8)4-7-5-10-11-12-7/h5H,1-4,6,9H2
InChIKeyQFDCJVKUQBGSJU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.21
Rot. Bonds3

About [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine

[1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine (PubChem CID 130600300) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine
PubChem CID130600300
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2cnns2)CCC1
InChIInChI=1S/C8H13N3S/c9-6-8(2-1-3-8)4-7-5-10-11-12-7/h5H,1-4,6,9H2
InChIKeyQFDCJVKUQBGSJU-UHFFFAOYSA-N
XLogP1.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine (CID 130600300) is [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine is NCC1(Cc2cnns2)CCC1.
What is the InChIKey of [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine?
The InChIKey is QFDCJVKUQBGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-6-8(2-1-3-8)4-7-5-10-11-12-7/h5H,1-4,6,9H2.
What are the key properties of [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine?
[1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiadiazol-5-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 130600300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).