(3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone

C7H7FN2OS — CID 131036055

IUPAC(3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC(F)C1
InChIInChI=1S/C7H7FN2OS/c8-5-2-10(3-5)7(11)6-1-9-4-12-6/h1,4-5H,2-3H2
InChIKeyBMTPQVRSHMSDMK-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.94
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone

(3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 131036055) has the molecular formula C7H7FN2OS and a molecular weight of 186.21 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID131036055
Molecular FormulaC7H7FN2OS
Molecular Weight186.21 g/mol
Exact Mass186.03
IUPAC Name(3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC(F)C1
InChIInChI=1S/C7H7FN2OS/c8-5-2-10(3-5)7(11)6-1-9-4-12-6/h1,4-5H,2-3H2
InChIKeyBMTPQVRSHMSDMK-UHFFFAOYSA-N
XLogP0.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone (CID 131036055) is (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is BMTPQVRSHMSDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2OS/c8-5-2-10(3-5)7(11)6-1-9-4-12-6/h1,4-5H,2-3H2.
What are the key properties of (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone?
(3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 186.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 131036055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).