lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate

C8H7F2LiN2O2S — CID 140641588

IUPAClithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(N2CC(F)(F)C2)n1.[Li+]
InChIInChI=1S/C8H8F2N2O2S.Li/c9-8(10)3-12(4-8)7-11-5(2-15-7)1-6(13)14;/h2H,1,3-4H2,(H,13,14);/q;+1/p-1
InChIKeyMAUIXTNBHNJBGT-UHFFFAOYSA-M
MW240.16 g/mol
LogP-3.11
Rot. Bonds3

About lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate

lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 140641588) has the molecular formula C8H7F2LiN2O2S and a molecular weight of 240.16 g/mol. Its IUPAC name is lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namelithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID140641588
Molecular FormulaC8H7F2LiN2O2S
Molecular Weight240.16 g/mol
Exact Mass240.04
IUPAC Namelithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(N2CC(F)(F)C2)n1.[Li+]
InChIInChI=1S/C8H8F2N2O2S.Li/c9-8(10)3-12(4-8)7-11-5(2-15-7)1-6(13)14;/h2H,1,3-4H2,(H,13,14);/q;+1/p-1
InChIKeyMAUIXTNBHNJBGT-UHFFFAOYSA-M
XLogP-3.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 5-3.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 140641588) is lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(N2CC(F)(F)C2)n1.[Li+].
What is the InChIKey of lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is MAUIXTNBHNJBGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F2N2O2S.Li/c9-8(10)3-12(4-8)7-11-5(2-15-7)1-6(13)14;/h2H,1,3-4H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate?
lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 240.16 g/mol, XLogP of -3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 140641588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).