(3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C6H6FN3OS — CID 130626065

IUPAC(3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CC(F)C1
InChIInChI=1S/C6H6FN3OS/c7-4-2-10(3-4)6(11)5-1-8-12-9-5/h1,4H,2-3H2
InChIKeyNNUWLWRNMRRXOF-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.33
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

(3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 130626065) has the molecular formula C6H6FN3OS and a molecular weight of 187.20 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID130626065
Molecular FormulaC6H6FN3OS
Molecular Weight187.20 g/mol
Exact Mass187.02
IUPAC Name(3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CC(F)C1
InChIInChI=1S/C6H6FN3OS/c7-4-2-10(3-4)6(11)5-1-8-12-9-5/h1,4H,2-3H2
InChIKeyNNUWLWRNMRRXOF-UHFFFAOYSA-N
XLogP0.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 130626065) is (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is NNUWLWRNMRRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3OS/c7-4-2-10(3-4)6(11)5-1-8-12-9-5/h1,4H,2-3H2.
What are the key properties of (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 187.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 130626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).