(5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone

C7H6BrFN2OS — CID 130736792

IUPAC(5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESO=C(c1ncc(Br)s1)N1CC(F)C1
InChIInChI=1S/C7H6BrFN2OS/c8-5-1-10-6(13-5)7(12)11-2-4(9)3-11/h1,4H,2-3H2
InChIKeyYUQTVZODCDPNLA-UHFFFAOYSA-N
MW265.11 g/mol
LogP1.70
Rot. Bonds1

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

(5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 130736792) has the molecular formula C7H6BrFN2OS and a molecular weight of 265.11 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID130736792
Molecular FormulaC7H6BrFN2OS
Molecular Weight265.11 g/mol
Exact Mass263.94
IUPAC Name(5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESO=C(c1ncc(Br)s1)N1CC(F)C1
InChIInChI=1S/C7H6BrFN2OS/c8-5-1-10-6(13-5)7(12)11-2-4(9)3-11/h1,4H,2-3H2
InChIKeyYUQTVZODCDPNLA-UHFFFAOYSA-N
XLogP1.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone (CID 130736792) is (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone is O=C(c1ncc(Br)s1)N1CC(F)C1.
What is the InChIKey of (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is YUQTVZODCDPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2OS/c8-5-1-10-6(13-5)7(12)11-2-4(9)3-11/h1,4H,2-3H2.
What are the key properties of (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone?
(5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 265.11 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 130736792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).