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

C11H17N3OS — CID 79088972

IUPAC[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C2CN3CCCC3CO2)n1
InChIInChI=1S/C11H17N3OS/c12-4-8-7-16-11(13-8)10-5-14-3-1-2-9(14)6-15-10/h7,9-10H,1-6,12H2
InChIKeyJEABYDDXVRHREE-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.14
Rot. Bonds2

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

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 79088972) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID79088972
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C2CN3CCCC3CO2)n1
InChIInChI=1S/C11H17N3OS/c12-4-8-7-16-11(13-8)10-5-14-3-1-2-9(14)6-15-10/h7,9-10H,1-6,12H2
InChIKeyJEABYDDXVRHREE-UHFFFAOYSA-N
XLogP1.14
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 79089440
[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methanamine
CID 79088973
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 79089379
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 79077578
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 79088434
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79078062
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
CID 142750888
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 79088688
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-propylpyrimidin-4-amine
CID 79089352
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539926
3-(5-bromo-4,6-dichloropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79077183

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine (CID 79088972) is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine is NCc1csc(C2CN3CCCC3CO2)n1.
What is the InChIKey of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is JEABYDDXVRHREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-4-8-7-16-11(13-8)10-5-14-3-1-2-9(14)6-15-10/h7,9-10H,1-6,12H2.
What are the key properties of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine?
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 239.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 79088972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).