6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol

C6H8N2OS — CID 123626390

IUPAC6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol
SMILESSc1cn2c(n1)COCC2
InChIInChI=1S/C6H8N2OS/c10-6-3-8-1-2-9-4-5(8)7-6/h3,10H,1-2,4H2
InChIKeyGMWISDVHGXEOPL-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.70
Rot. Bonds

About 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol (PubChem CID 123626390) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol
PubChem CID123626390
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol
SMILESSc1cn2c(n1)COCC2
InChIInChI=1S/C6H8N2OS/c10-6-3-8-1-2-9-4-5(8)7-6/h3,10H,1-2,4H2
InChIKeyGMWISDVHGXEOPL-UHFFFAOYSA-N
XLogP0.70
TPSA27.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol 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 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol?
The IUPAC name of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol (CID 123626390) is 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol?
The canonical SMILES for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol is Sc1cn2c(n1)COCC2.
What is the InChIKey of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol?
The InChIKey is GMWISDVHGXEOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c10-6-3-8-1-2-9-4-5(8)7-6/h3,10H,1-2,4H2.
What are the key properties of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol?
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol has a molecular weight of 156.21 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol is sourced from PubChem (CID 123626390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).