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

C8H13N3S — CID 130600561

IUPAC5-[(3-ethylazetidin-3-yl)methyl]thiadiazole
SMILESCCC1(Cc2cnns2)CNC1
InChIInChI=1S/C8H13N3S/c1-2-8(5-9-6-8)3-7-4-10-11-12-7/h4,9H,2-3,5-6H2,1H3
InChIKeyRYRHQINRDSZADQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.08
Rot. Bonds3

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

5-[(3-ethylazetidin-3-yl)methyl]thiadiazole (PubChem CID 130600561) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-[(3-ethylazetidin-3-yl)methyl]thiadiazole
PubChem CID130600561
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-[(3-ethylazetidin-3-yl)methyl]thiadiazole
SMILESCCC1(Cc2cnns2)CNC1
InChIInChI=1S/C8H13N3S/c1-2-8(5-9-6-8)3-7-4-10-11-12-7/h4,9H,2-3,5-6H2,1H3
InChIKeyRYRHQINRDSZADQ-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole?
The IUPAC name of 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole (CID 130600561) is 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole.
What is the SMILES notation for 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole?
The canonical SMILES for 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole is CCC1(Cc2cnns2)CNC1.
What is the InChIKey of 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole?
The InChIKey is RYRHQINRDSZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-8(5-9-6-8)3-7-4-10-11-12-7/h4,9H,2-3,5-6H2,1H3.
What are the key properties of 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole?
5-[(3-ethylazetidin-3-yl)methyl]thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylazetidin-3-yl)methyl]thiadiazole is sourced from PubChem (CID 130600561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).