6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole

C7H11NOS — CID 14715118

IUPAC6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole
SMILESCC1(C)SCC2CON=C21
InChIInChI=1S/C7H11NOS/c1-7(2)6-5(4-10-7)3-9-8-6/h5H,3-4H2,1-2H3
InChIKeyWCCVSOLJBJHMOG-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.51
Rot. Bonds

About 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole

6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole (PubChem CID 14715118) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole
PubChem CID14715118
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole
SMILESCC1(C)SCC2CON=C21
InChIInChI=1S/C7H11NOS/c1-7(2)6-5(4-10-7)3-9-8-6/h5H,3-4H2,1-2H3
InChIKeyWCCVSOLJBJHMOG-UHFFFAOYSA-N
XLogP1.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole?
The IUPAC name of 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole (CID 14715118) is 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole.
What is the SMILES notation for 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole?
The canonical SMILES for 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole is CC1(C)SCC2CON=C21.
What is the InChIKey of 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole?
The InChIKey is WCCVSOLJBJHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-7(2)6-5(4-10-7)3-9-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole?
6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole has a molecular weight of 157.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole is sourced from PubChem (CID 14715118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).