N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine

C15H25N3O2S — CID 62767523

IUPACN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(N2CCOC3CCCC32)nc1C
InChIInChI=1S/C15H25N3O2S/c1-11-14(10-16-6-8-19-2)21-15(17-11)18-7-9-20-13-5-3-4-12(13)18/h12-13,16H,3-10H2,1-2H3
InChIKeyOWYOVOOEGHXOHK-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.95
Rot. Bonds6

About N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine

N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62767523) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62767523
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(N2CCOC3CCCC32)nc1C
InChIInChI=1S/C15H25N3O2S/c1-11-14(10-16-6-8-19-2)21-15(17-11)18-7-9-20-13-5-3-4-12(13)18/h12-13,16H,3-10H2,1-2H3
InChIKeyOWYOVOOEGHXOHK-UHFFFAOYSA-N
XLogP1.95
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (CID 62767523) is N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1sc(N2CCOC3CCCC32)nc1C.
What is the InChIKey of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is OWYOVOOEGHXOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-14(10-16-6-8-19-2)21-15(17-11)18-7-9-20-13-5-3-4-12(13)18/h12-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62767523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).