9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione

C18H8N4O2S — CID 155690295

IUPAC9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2nc3cc(-c4nccs4)ccc3nc21
InChIInChI=1S/C18H8N4O2S/c23-16-10-2-1-5-19-13(10)17(24)15-14(16)21-11-4-3-9(8-12(11)22-15)18-20-6-7-25-18/h1-8H
InChIKeyNQUFIZTVFLGDCL-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.92
Rot. Bonds1

About 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione

9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione (PubChem CID 155690295) has the molecular formula C18H8N4O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione.

Molecular Properties

Compound Name9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
PubChem CID155690295
Molecular FormulaC18H8N4O2S
Molecular Weight344.36 g/mol
Exact Mass344.04
IUPAC Name9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2nc3cc(-c4nccs4)ccc3nc21
InChIInChI=1S/C18H8N4O2S/c23-16-10-2-1-5-19-13(10)17(24)15-14(16)21-11-4-3-9(8-12(11)22-15)18-20-6-7-25-18/h1-8H
InChIKeyNQUFIZTVFLGDCL-UHFFFAOYSA-N
XLogP2.92
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-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 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione?
The IUPAC name of 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione (CID 155690295) is 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione.
What is the SMILES notation for 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione?
The canonical SMILES for 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione is O=C1c2cccnc2C(=O)c2nc3cc(-c4nccs4)ccc3nc21.
What is the InChIKey of 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione?
The InChIKey is NQUFIZTVFLGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N4O2S/c23-16-10-2-1-5-19-13(10)17(24)15-14(16)21-11-4-3-9(8-12(11)22-15)18-20-6-7-25-18/h1-8H.
What are the key properties of 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione?
9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione has a molecular weight of 344.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione is sourced from PubChem (CID 155690295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).