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

C12H16N2O2S — CID 79088428

IUPAC1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C12H16N2O2S/c1-8(15)11-5-13-12(17-11)10-6-14-4-2-3-9(14)7-16-10/h5,9-10H,2-4,6-7H2,1H3
InChIKeyZOYIJLRBYYKEIJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.88
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]ethanone

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 79088428) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 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]ethanone.

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]ethanone
PubChem CID79088428
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
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]ethanone
SMILESCC(=O)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C12H16N2O2S/c1-8(15)11-5-13-12(17-11)10-6-14-4-2-3-9(14)7-16-10/h5,9-10H,2-4,6-7H2,1H3
InChIKeyZOYIJLRBYYKEIJ-UHFFFAOYSA-N
XLogP1.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
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]ethanone with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782573
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
CID 47073754
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone
CID 62751317
1-[2-(Oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 65328601
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 79077679
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 79088238
1-[2-(4-Methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
CID 79088333
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 79088707
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
1-[2-(4-Propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
CID 79657795
1-[2-(4-Propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
CID 79665796
1-[2-(4-Ethylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
CID 79668814

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]ethanone?
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]ethanone (CID 79088428) 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]ethanone.
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]ethanone?
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]ethanone is CC(=O)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]ethanone?
The InChIKey is ZOYIJLRBYYKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(15)11-5-13-12(17-11)10-6-14-4-2-3-9(14)7-16-10/h5,9-10H,2-4,6-7H2,1H3.
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]ethanone?
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 252.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 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]ethanone is sourced from PubChem (CID 79088428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).