2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole

C6H7F2N3S — CID 122269409

IUPAC2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(F)(F)C2)s1
InChIInChI=1S/C6H7F2N3S/c1-4-9-10-5(12-4)11-2-6(7,8)3-11/h2-3H2,1H3
InChIKeyZDTFOYDCDTYWCI-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.30
Rot. Bonds1

About 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole

2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 122269409) has the molecular formula C6H7F2N3S and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID122269409
Molecular FormulaC6H7F2N3S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(F)(F)C2)s1
InChIInChI=1S/C6H7F2N3S/c1-4-9-10-5(12-4)11-2-6(7,8)3-11/h2-3H2,1H3
InChIKeyZDTFOYDCDTYWCI-UHFFFAOYSA-N
XLogP1.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-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 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 122269409) is 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CC(F)(F)C2)s1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is ZDTFOYDCDTYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S/c1-4-9-10-5(12-4)11-2-6(7,8)3-11/h2-3H2,1H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 191.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 122269409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).