1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone

C10H15NO2S — CID 164604562

IUPAC1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(COC(C)(C)C)s1
InChIInChI=1S/C10H15NO2S/c1-7(12)8-5-11-9(14-8)6-13-10(2,3)4/h5H,6H2,1-4H3
InChIKeyJOWNUHAYQLBIGE-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone

1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 164604562) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone
PubChem CID164604562
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(COC(C)(C)C)s1
InChIInChI=1S/C10H15NO2S/c1-7(12)8-5-11-9(14-8)6-13-10(2,3)4/h5H,6H2,1-4H3
InChIKeyJOWNUHAYQLBIGE-UHFFFAOYSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone (CID 164604562) is 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(COC(C)(C)C)s1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is JOWNUHAYQLBIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(12)8-5-11-9(14-8)6-13-10(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone?
1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 213.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 164604562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).