2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C15H22N4OS — CID 63786542

IUPAC2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(N2CCOC3CCCCC32)nc2sccn12
InChIInChI=1S/C15H22N4OS/c16-6-5-12-14(17-15-19(12)8-10-21-15)18-7-9-20-13-4-2-1-3-11(13)18/h8,10-11,13H,1-7,9,16H2
InChIKeyBIBSIXVKNXONMC-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.04
Rot. Bonds3

About 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 63786542) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID63786542
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(N2CCOC3CCCCC32)nc2sccn12
InChIInChI=1S/C15H22N4OS/c16-6-5-12-14(17-15-19(12)8-10-21-15)18-7-9-20-13-4-2-1-3-11(13)18/h8,10-11,13H,1-7,9,16H2
InChIKeyBIBSIXVKNXONMC-UHFFFAOYSA-N
XLogP2.04
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine 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-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 63786542) is 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is NCCc1c(N2CCOC3CCCCC32)nc2sccn12.
What is the InChIKey of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is BIBSIXVKNXONMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c16-6-5-12-14(17-15-19(12)8-10-21-15)18-7-9-20-13-4-2-1-3-11(13)18/h8,10-11,13H,1-7,9,16H2.
What are the key properties of 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 306.44 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 63786542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).