8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole

C12H13NOS — CID 59088920

IUPAC8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole
SMILESCCc1sc(C)c2c1-c1oncc1CC2
InChIInChI=1S/C12H13NOS/c1-3-10-11-9(7(2)15-10)5-4-8-6-13-14-12(8)11/h6H,3-5H2,1-2H3
InChIKeyCERQSUMELTUSSQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.37
Rot. Bonds1

About 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole

8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole (PubChem CID 59088920) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole.

Molecular Properties

Compound Name8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole
PubChem CID59088920
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole
SMILESCCc1sc(C)c2c1-c1oncc1CC2
InChIInChI=1S/C12H13NOS/c1-3-10-11-9(7(2)15-10)5-4-8-6-13-14-12(8)11/h6H,3-5H2,1-2H3
InChIKeyCERQSUMELTUSSQ-UHFFFAOYSA-N
XLogP3.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole?
The IUPAC name of 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole (CID 59088920) is 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole.
What is the SMILES notation for 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole?
The canonical SMILES for 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole is CCc1sc(C)c2c1-c1oncc1CC2.
What is the InChIKey of 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole?
The InChIKey is CERQSUMELTUSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-3-10-11-9(7(2)15-10)5-4-8-6-13-14-12(8)11/h6H,3-5H2,1-2H3.
What are the key properties of 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole?
8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole has a molecular weight of 219.31 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole is sourced from PubChem (CID 59088920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).