2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

C12H11FN2O2S — CID 82906161

IUPAC2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESO=C1C2CSCCN2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-8-2-1-3-9(6-8)15-11(16)10-7-18-5-4-14(10)12(15)17/h1-3,6,10H,4-5,7H2
InChIKeyBUIWLNPAAYRCNP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.71
Rot. Bonds1

About 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (PubChem CID 82906161) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
PubChem CID82906161
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESO=C1C2CSCCN2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-8-2-1-3-9(6-8)15-11(16)10-7-18-5-4-14(10)12(15)17/h1-3,6,10H,4-5,7H2
InChIKeyBUIWLNPAAYRCNP-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-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 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The IUPAC name of 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (CID 82906161) is 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.
What is the SMILES notation for 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The canonical SMILES for 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is O=C1C2CSCCN2C(=O)N1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The InChIKey is BUIWLNPAAYRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-8-2-1-3-9(6-8)15-11(16)10-7-18-5-4-14(10)12(15)17/h1-3,6,10H,4-5,7H2.
What are the key properties of 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is sourced from PubChem (CID 82906161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).