1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C11H15NO2S — CID 115789180

IUPAC1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2OCCC2C)n1
InChIInChI=1S/C11H15NO2S/c1-7-3-4-14-11(7)9(13)5-10-12-8(2)6-15-10/h6-7,11H,3-5H2,1-2H3
InChIKeyRCTRSDUUJVCEQY-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.99
Rot. Bonds3

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

1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 115789180) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID115789180
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2OCCC2C)n1
InChIInChI=1S/C11H15NO2S/c1-7-3-4-14-11(7)9(13)5-10-12-8(2)6-15-10/h6-7,11H,3-5H2,1-2H3
InChIKeyRCTRSDUUJVCEQY-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 107003979
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981
2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 114967727
CID 131842856
CID 131842856
1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158991976
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106600843
1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116604713
N-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116749499
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 115789180) is 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)C2OCCC2C)n1.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is RCTRSDUUJVCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-3-4-14-11(7)9(13)5-10-12-8(2)6-15-10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 225.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115789180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).