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

C14H23N3OS — CID 79089253

IUPAC1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C14H23N3OS/c1-3-15-10(2)13-7-16-14(19-13)12-8-17-6-4-5-11(17)9-18-12/h7,10-12,15H,3-6,8-9H2,1-2H3
InChIKeyOCQAPQAATZLVQF-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.35
Rot. Bonds4

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]-N-ethylethanamine

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 79089253) has the molecular formula C14H23N3OS and a molecular weight of 281.43 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]-N-ethylethanamine.

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]-N-ethylethanamine
PubChem CID79089253
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
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]-N-ethylethanamine
SMILESCCNC(C)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C14H23N3OS/c1-3-15-10(2)13-7-16-14(19-13)12-8-17-6-4-5-11(17)9-18-12/h7,10-12,15H,3-6,8-9H2,1-2H3
InChIKeyOCQAPQAATZLVQF-UHFFFAOYSA-N
XLogP2.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.35
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]-N-ethylethanamine 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]-N-ethylethanamine?
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]-N-ethylethanamine (CID 79089253) 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]-N-ethylethanamine.
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]-N-ethylethanamine?
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]-N-ethylethanamine is CCNC(C)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]-N-ethylethanamine?
The InChIKey is OCQAPQAATZLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-15-10(2)13-7-16-14(19-13)12-8-17-6-4-5-11(17)9-18-12/h7,10-12,15H,3-6,8-9H2,1-2H3.
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]-N-ethylethanamine?
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 281.43 g/mol, XLogP of 2.35, 4 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]-N-ethylethanamine is sourced from PubChem (CID 79089253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).