1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone

C11H15NO2S — CID 130673495

IUPAC1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2ccsn2)C1C
InChIInChI=1S/C11H15NO2S/c1-6-7(2)14-8(3)10(6)11(13)9-4-5-15-12-9/h4-8,10H,1-3H3
InChIKeyOWELQZMEMCCXJV-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.39
Rot. Bonds2

About 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone

1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 130673495) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID130673495
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2ccsn2)C1C
InChIInChI=1S/C11H15NO2S/c1-6-7(2)14-8(3)10(6)11(13)9-4-5-15-12-9/h4-8,10H,1-3H3
InChIKeyOWELQZMEMCCXJV-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone (CID 130673495) is 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2ccsn2)C1C.
What is the InChIKey of 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is OWELQZMEMCCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-6-7(2)14-8(3)10(6)11(13)9-4-5-15-12-9/h4-8,10H,1-3H3.
What are the key properties of 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 225.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 130673495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).