9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine

C19H17NOS — CID 59573255

IUPAC9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3ccsc32)c(C)c1
InChIInChI=1S/C19H17NOS/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-16(15)21-17-8-9-22-19(17)20/h4-11H,1-3H3
InChIKeyHVWWSLOTMDBIHX-UHFFFAOYSA-N
MW307.42 g/mol
LogP6.25
Rot. Bonds1

About 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine

9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine (PubChem CID 59573255) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
PubChem CID59573255
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
SMILESCc1cc(C)c(N2c3ccccc3Oc3ccsc32)c(C)c1
InChIInChI=1S/C19H17NOS/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-16(15)21-17-8-9-22-19(17)20/h4-11H,1-3H3
InChIKeyHVWWSLOTMDBIHX-UHFFFAOYSA-N
XLogP6.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine 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 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine?
The IUPAC name of 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine (CID 59573255) is 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine?
The canonical SMILES for 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine is Cc1cc(C)c(N2c3ccccc3Oc3ccsc32)c(C)c1.
What is the InChIKey of 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine?
The InChIKey is HVWWSLOTMDBIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-12-10-13(2)18(14(3)11-12)20-15-6-4-5-7-16(15)21-17-8-9-22-19(17)20/h4-11H,1-3H3.
What are the key properties of 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine?
9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine has a molecular weight of 307.42 g/mol, XLogP of 6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59573255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).