2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol

C11H11N3OS — CID 583014

IUPAC2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
SMILESOC1CSc2nc(-c3ccccc3)nn2C1
InChIInChI=1S/C11H11N3OS/c15-9-6-14-11(16-7-9)12-10(13-14)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyMTZLGPCSOBARNC-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.41
Rot. Bonds1

About 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol

2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol (PubChem CID 583014) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
PubChem CID583014
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
SMILESOC1CSc2nc(-c3ccccc3)nn2C1
InChIInChI=1S/C11H11N3OS/c15-9-6-14-11(16-7-9)12-10(13-14)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyMTZLGPCSOBARNC-UHFFFAOYSA-N
XLogP1.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol 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 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol (CID 583014) is 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol is OC1CSc2nc(-c3ccccc3)nn2C1.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
The InChIKey is MTZLGPCSOBARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-9-6-14-11(16-7-9)12-10(13-14)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2.
What are the key properties of 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol?
2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol has a molecular weight of 233.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol is sourced from PubChem (CID 583014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).