2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

C7H12N2S — CID 59936374

IUPAC2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S/c1-6-4-9(5-6)7-8-2-3-10-7/h6H,2-5H2,1H3
InChIKeyABGGPMXFIAPUOO-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.04
Rot. Bonds

About 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 59936374) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID59936374
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S/c1-6-4-9(5-6)7-8-2-3-10-7/h6H,2-5H2,1H3
InChIKeyABGGPMXFIAPUOO-UHFFFAOYSA-N
XLogP1.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole 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 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 59936374) is 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is CC1CN(C2=NCCS2)C1.
What is the InChIKey of 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is ABGGPMXFIAPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6-4-9(5-6)7-8-2-3-10-7/h6H,2-5H2,1H3.
What are the key properties of 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 156.25 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 59936374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).