2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone

C9H12N2O2S — CID 71302587

IUPAC2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CN1CCOCC1)c1nccs1
InChIInChI=1S/C9H12N2O2S/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11/h1,6H,2-5,7H2
InChIKeyFHDKUXLJURXETO-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.66
Rot. Bonds3

About 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone

2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 71302587) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone
PubChem CID71302587
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CN1CCOCC1)c1nccs1
InChIInChI=1S/C9H12N2O2S/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11/h1,6H,2-5,7H2
InChIKeyFHDKUXLJURXETO-UHFFFAOYSA-N
XLogP0.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone (CID 71302587) is 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone is O=C(CN1CCOCC1)c1nccs1.
What is the InChIKey of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is FHDKUXLJURXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11/h1,6H,2-5,7H2.
What are the key properties of 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone?
2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 212.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 71302587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).