2H-pyrimido[5,4-e][1,3]thiazine

C6H5N3S — CID 86206244

IUPAC2H-pyrimido[5,4-e][1,3]thiazine
SMILESC1=NCSc2ncncc21
InChIInChI=1S/C6H5N3S/c1-5-2-8-4-10-6(5)9-3-7-1/h1-3H,4H2
InChIKeyZWFKFQWZOSEZLZ-UHFFFAOYSA-N
MW151.19 g/mol
LogP0.96
Rot. Bonds

About 2H-pyrimido[5,4-e][1,3]thiazine

2H-pyrimido[5,4-e][1,3]thiazine (PubChem CID 86206244) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2H-pyrimido[5,4-e][1,3]thiazine.

Molecular Properties

Compound Name2H-pyrimido[5,4-e][1,3]thiazine
PubChem CID86206244
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name2H-pyrimido[5,4-e][1,3]thiazine
SMILESC1=NCSc2ncncc21
InChIInChI=1S/C6H5N3S/c1-5-2-8-4-10-6(5)9-3-7-1/h1-3H,4H2
InChIKeyZWFKFQWZOSEZLZ-UHFFFAOYSA-N
XLogP0.96
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2H-pyrimido[5,4-e][1,3]thiazine 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 2H-pyrimido[5,4-e][1,3]thiazine?
The IUPAC name of 2H-pyrimido[5,4-e][1,3]thiazine (CID 86206244) is 2H-pyrimido[5,4-e][1,3]thiazine.
What is the SMILES notation for 2H-pyrimido[5,4-e][1,3]thiazine?
The canonical SMILES for 2H-pyrimido[5,4-e][1,3]thiazine is C1=NCSc2ncncc21.
What is the InChIKey of 2H-pyrimido[5,4-e][1,3]thiazine?
The InChIKey is ZWFKFQWZOSEZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-5-2-8-4-10-6(5)9-3-7-1/h1-3H,4H2.
What are the key properties of 2H-pyrimido[5,4-e][1,3]thiazine?
2H-pyrimido[5,4-e][1,3]thiazine has a molecular weight of 151.19 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimido[5,4-e][1,3]thiazine is sourced from PubChem (CID 86206244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).