6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole

C6H9NOS — CID 588722

IUPAC6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole
SMILESCC1SCC2CON=C21
InChIInChI=1S/C6H9NOS/c1-4-6-5(3-9-4)2-8-7-6/h4-5H,2-3H2,1H3
InChIKeyBAEJZARFTUWUJU-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.12
Rot. Bonds

About 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole

6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole (PubChem CID 588722) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole
PubChem CID588722
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole
SMILESCC1SCC2CON=C21
InChIInChI=1S/C6H9NOS/c1-4-6-5(3-9-4)2-8-7-6/h4-5H,2-3H2,1H3
InChIKeyBAEJZARFTUWUJU-UHFFFAOYSA-N
XLogP1.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole?
The IUPAC name of 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole (CID 588722) is 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole.
What is the SMILES notation for 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole?
The canonical SMILES for 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole is CC1SCC2CON=C21.
What is the InChIKey of 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole?
The InChIKey is BAEJZARFTUWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4-6-5(3-9-4)2-8-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole?
6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole has a molecular weight of 143.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole is sourced from PubChem (CID 588722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).