1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone

C11H16N2O2S — CID 64544039

IUPAC1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCOCC2(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-8(14)9-6-16-10(12-9)13-4-5-15-7-11(13,2)3/h6H,4-5,7H2,1-3H3
InChIKeyAOCLGTLVYMGBRK-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.96
Rot. Bonds2

About 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64544039) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID64544039
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCOCC2(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-8(14)9-6-16-10(12-9)13-4-5-15-7-11(13,2)3/h6H,4-5,7H2,1-3H3
InChIKeyAOCLGTLVYMGBRK-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone (CID 64544039) is 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N2CCOCC2(C)C)n1.
What is the InChIKey of 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is AOCLGTLVYMGBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(14)9-6-16-10(12-9)13-4-5-15-7-11(13,2)3/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 240.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).