2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C8H8F2N2O2S — CID 130230087

IUPAC2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CC(F)(F)C2)sc1C(=O)O
InChIInChI=1S/C8H8F2N2O2S/c1-4-5(6(13)14)15-7(11-4)12-2-8(9,10)3-12/h2-3H2,1H3,(H,13,14)
InChIKeyAEVHGONELPLINO-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.61
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 130230087) has the molecular formula C8H8F2N2O2S and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID130230087
Molecular FormulaC8H8F2N2O2S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CC(F)(F)C2)sc1C(=O)O
InChIInChI=1S/C8H8F2N2O2S/c1-4-5(6(13)14)15-7(11-4)12-2-8(9,10)3-12/h2-3H2,1H3,(H,13,14)
InChIKeyAEVHGONELPLINO-UHFFFAOYSA-N
XLogP1.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 130230087) is 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CC(F)(F)C2)sc1C(=O)O.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is AEVHGONELPLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2S/c1-4-5(6(13)14)15-7(11-4)12-2-8(9,10)3-12/h2-3H2,1H3,(H,13,14).
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130230087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).