5-[(3-methylazetidin-3-yl)methyl]thiadiazole

C7H11N3S — CID 130600557

IUPAC5-[(3-methylazetidin-3-yl)methyl]thiadiazole
SMILESCC1(Cc2cnns2)CNC1
InChIInChI=1S/C7H11N3S/c1-7(4-8-5-7)2-6-3-9-10-11-6/h3,8H,2,4-5H2,1H3
InChIKeyUIEPIHTYAMMVDZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.69
Rot. Bonds2

About 5-[(3-methylazetidin-3-yl)methyl]thiadiazole

5-[(3-methylazetidin-3-yl)methyl]thiadiazole (PubChem CID 130600557) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-[(3-methylazetidin-3-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-[(3-methylazetidin-3-yl)methyl]thiadiazole
PubChem CID130600557
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-[(3-methylazetidin-3-yl)methyl]thiadiazole
SMILESCC1(Cc2cnns2)CNC1
InChIInChI=1S/C7H11N3S/c1-7(4-8-5-7)2-6-3-9-10-11-6/h3,8H,2,4-5H2,1H3
InChIKeyUIEPIHTYAMMVDZ-UHFFFAOYSA-N
XLogP0.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylazetidin-3-yl)methyl]thiadiazole?
The IUPAC name of 5-[(3-methylazetidin-3-yl)methyl]thiadiazole (CID 130600557) is 5-[(3-methylazetidin-3-yl)methyl]thiadiazole.
What is the SMILES notation for 5-[(3-methylazetidin-3-yl)methyl]thiadiazole?
The canonical SMILES for 5-[(3-methylazetidin-3-yl)methyl]thiadiazole is CC1(Cc2cnns2)CNC1.
What is the InChIKey of 5-[(3-methylazetidin-3-yl)methyl]thiadiazole?
The InChIKey is UIEPIHTYAMMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-7(4-8-5-7)2-6-3-9-10-11-6/h3,8H,2,4-5H2,1H3.
What are the key properties of 5-[(3-methylazetidin-3-yl)methyl]thiadiazole?
5-[(3-methylazetidin-3-yl)methyl]thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylazetidin-3-yl)methyl]thiadiazole is sourced from PubChem (CID 130600557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).