2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

C13H20N2O2S — CID 114624631

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)Cc2csc(N)n2)C(C)(C)O1
InChIInChI=1S/C13H20N2O2S/c1-12(2)6-9(13(3,4)17-12)10(16)5-8-7-18-11(14)15-8/h7,9H,5-6H2,1-4H3,(H2,14,15)
InChIKeyATWGGHIUTZIDLX-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (PubChem CID 114624631) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
PubChem CID114624631
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)Cc2csc(N)n2)C(C)(C)O1
InChIInChI=1S/C13H20N2O2S/c1-12(2)6-9(13(3,4)17-12)10(16)5-8-7-18-11(14)15-8/h7,9H,5-6H2,1-4H3,(H2,14,15)
InChIKeyATWGGHIUTZIDLX-UHFFFAOYSA-N
XLogP2.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (CID 114624631) is 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is CC1(C)CC(C(=O)Cc2csc(N)n2)C(C)(C)O1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The InChIKey is ATWGGHIUTZIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-12(2)6-9(13(3,4)17-12)10(16)5-8-7-18-11(14)15-8/h7,9H,5-6H2,1-4H3,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone has a molecular weight of 268.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is sourced from PubChem (CID 114624631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).