3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione

C11H8N2O2S — CID 11195626

IUPAC3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione
SMILESCn1c(=O)sc2[nH]c3ccccc3c2c1=O
InChIInChI=1S/C11H8N2O2S/c1-13-10(14)8-6-4-2-3-5-7(6)12-9(8)16-11(13)15/h2-5,12H,1H3
InChIKeyNJGJFPPBMOBRGB-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.44
Rot. Bonds

About 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione

3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione (PubChem CID 11195626) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione.

Molecular Properties

Compound Name3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione
PubChem CID11195626
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione
SMILESCn1c(=O)sc2[nH]c3ccccc3c2c1=O
InChIInChI=1S/C11H8N2O2S/c1-13-10(14)8-6-4-2-3-5-7(6)12-9(8)16-11(13)15/h2-5,12H,1H3
InChIKeyNJGJFPPBMOBRGB-UHFFFAOYSA-N
XLogP1.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione 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 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione?
The IUPAC name of 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione (CID 11195626) is 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione.
What is the SMILES notation for 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione?
The canonical SMILES for 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione is Cn1c(=O)sc2[nH]c3ccccc3c2c1=O.
What is the InChIKey of 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione?
The InChIKey is NJGJFPPBMOBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-13-10(14)8-6-4-2-3-5-7(6)12-9(8)16-11(13)15/h2-5,12H,1H3.
What are the key properties of 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione?
3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione has a molecular weight of 232.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9H-[1,3]thiazino[6,5-b]indole-2,4-dione is sourced from PubChem (CID 11195626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).