1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine

C12H19N3OS — CID 79089059

IUPAC1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C12H19N3OS/c1-8(13)11-5-14-12(17-11)10-6-15-4-2-3-9(15)7-16-10/h5,8-10H,2-4,6-7,13H2,1H3
InChIKeyNMYZONMGVQVYIC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.70
Rot. Bonds2

About 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79089059) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79089059
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C12H19N3OS/c1-8(13)11-5-14-12(17-11)10-6-15-4-2-3-9(15)7-16-10/h5,8-10H,2-4,6-7,13H2,1H3
InChIKeyNMYZONMGVQVYIC-UHFFFAOYSA-N
XLogP1.70
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine (CID 79089059) is 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(C2CN3CCCC3CO2)s1.
What is the InChIKey of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is NMYZONMGVQVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(13)11-5-14-12(17-11)10-6-15-4-2-3-9(15)7-16-10/h5,8-10H,2-4,6-7,13H2,1H3.
What are the key properties of 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 253.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79089059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).