10-methyl-2-thiophen-2-ylphenoxazine

C17H13NOS — CID 20781552

IUPAC10-methyl-2-thiophen-2-ylphenoxazine
SMILESCN1c2ccccc2Oc2ccc(-c3cccs3)cc21
InChIInChI=1S/C17H13NOS/c1-18-13-5-2-3-6-15(13)19-16-9-8-12(11-14(16)18)17-7-4-10-20-17/h2-11H,1H3
InChIKeyYVHUDGOXKSHBQF-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.29
Rot. Bonds1

About 10-methyl-2-thiophen-2-ylphenoxazine

10-methyl-2-thiophen-2-ylphenoxazine (PubChem CID 20781552) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 10-methyl-2-thiophen-2-ylphenoxazine.

Molecular Properties

Compound Name10-methyl-2-thiophen-2-ylphenoxazine
PubChem CID20781552
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name10-methyl-2-thiophen-2-ylphenoxazine
SMILESCN1c2ccccc2Oc2ccc(-c3cccs3)cc21
InChIInChI=1S/C17H13NOS/c1-18-13-5-2-3-6-15(13)19-16-9-8-12(11-14(16)18)17-7-4-10-20-17/h2-11H,1H3
InChIKeyYVHUDGOXKSHBQF-UHFFFAOYSA-N
XLogP5.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-methyl-2-thiophen-2-ylphenoxazine 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 10-methyl-2-thiophen-2-ylphenoxazine?
The IUPAC name of 10-methyl-2-thiophen-2-ylphenoxazine (CID 20781552) is 10-methyl-2-thiophen-2-ylphenoxazine.
What is the SMILES notation for 10-methyl-2-thiophen-2-ylphenoxazine?
The canonical SMILES for 10-methyl-2-thiophen-2-ylphenoxazine is CN1c2ccccc2Oc2ccc(-c3cccs3)cc21.
What is the InChIKey of 10-methyl-2-thiophen-2-ylphenoxazine?
The InChIKey is YVHUDGOXKSHBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-18-13-5-2-3-6-15(13)19-16-9-8-12(11-14(16)18)17-7-4-10-20-17/h2-11H,1H3.
What are the key properties of 10-methyl-2-thiophen-2-ylphenoxazine?
10-methyl-2-thiophen-2-ylphenoxazine has a molecular weight of 279.36 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-thiophen-2-ylphenoxazine is sourced from PubChem (CID 20781552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).