10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione

C15H8N2O2S — CID 11087167

IUPAC10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione
SMILESCc1c2c(nc3ccccc13)C(=O)c1scnc1C2=O
InChIInChI=1S/C15H8N2O2S/c1-7-8-4-2-3-5-9(8)17-11-10(7)13(18)12-15(14(11)19)20-6-16-12/h2-6H,1H3
InChIKeySHJVNVRGUAYLEK-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.78
Rot. Bonds

About 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione

10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione (PubChem CID 11087167) has the molecular formula C15H8N2O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione.

Molecular Properties

Compound Name10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione
PubChem CID11087167
Molecular FormulaC15H8N2O2S
Molecular Weight280.31 g/mol
Exact Mass280.03
IUPAC Name10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione
SMILESCc1c2c(nc3ccccc13)C(=O)c1scnc1C2=O
InChIInChI=1S/C15H8N2O2S/c1-7-8-4-2-3-5-9(8)17-11-10(7)13(18)12-15(14(11)19)20-6-16-12/h2-6H,1H3
InChIKeySHJVNVRGUAYLEK-UHFFFAOYSA-N
XLogP2.78
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione?
The IUPAC name of 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione (CID 11087167) is 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione.
What is the SMILES notation for 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione?
The canonical SMILES for 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione is Cc1c2c(nc3ccccc13)C(=O)c1scnc1C2=O.
What is the InChIKey of 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione?
The InChIKey is SHJVNVRGUAYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2S/c1-7-8-4-2-3-5-9(8)17-11-10(7)13(18)12-15(14(11)19)20-6-16-12/h2-6H,1H3.
What are the key properties of 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione?
10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione has a molecular weight of 280.31 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-[1,3]thiazolo[4,5-b]acridine-4,11-dione is sourced from PubChem (CID 11087167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).