[3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

C10H13FN2O2S — CID 126833981

IUPAC[3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(OCCF)C2)ns1
InChIInChI=1S/C10H13FN2O2S/c1-7-4-9(12-16-7)10(14)13-5-8(6-13)15-3-2-11/h4,8H,2-3,5-6H2,1H3
InChIKeyQLMNNCSVNGMNTG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.26
Rot. Bonds4

About [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

[3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 126833981) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID126833981
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name[3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(OCCF)C2)ns1
InChIInChI=1S/C10H13FN2O2S/c1-7-4-9(12-16-7)10(14)13-5-8(6-13)15-3-2-11/h4,8H,2-3,5-6H2,1H3
InChIKeyQLMNNCSVNGMNTG-UHFFFAOYSA-N
XLogP1.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (CID 126833981) is [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is Cc1cc(C(=O)N2CC(OCCF)C2)ns1.
What is the InChIKey of [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is QLMNNCSVNGMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-7-4-9(12-16-7)10(14)13-5-8(6-13)15-3-2-11/h4,8H,2-3,5-6H2,1H3.
What are the key properties of [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
[3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethoxy)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 126833981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).