(3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone

C6H5F2N3OS — CID 130620130

IUPAC(3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CC(F)(F)C1
InChIInChI=1S/C6H5F2N3OS/c7-6(8)2-11(3-6)5(12)4-1-13-10-9-4/h1H,2-3H2
InChIKeyWWRQQAXRLMYUEW-UHFFFAOYSA-N
MW205.19 g/mol
LogP0.63
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone

(3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 130620130) has the molecular formula C6H5F2N3OS and a molecular weight of 205.19 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID130620130
Molecular FormulaC6H5F2N3OS
Molecular Weight205.19 g/mol
Exact Mass205.01
IUPAC Name(3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CC(F)(F)C1
InChIInChI=1S/C6H5F2N3OS/c7-6(8)2-11(3-6)5(12)4-1-13-10-9-4/h1H,2-3H2
InChIKeyWWRQQAXRLMYUEW-UHFFFAOYSA-N
XLogP0.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone (CID 130620130) is (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is WWRQQAXRLMYUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3OS/c7-6(8)2-11(3-6)5(12)4-1-13-10-9-4/h1H,2-3H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 205.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 130620130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).