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

C12H16N2O2S — CID 62751317

IUPAC1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C12H16N2O2S/c1-8(15)11-7-13-12(17-11)14-5-6-16-10-4-2-3-9(10)14/h7,9-10H,2-6H2,1H3
InChIKeyZYYILJQQNOPCPP-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.10
Rot. Bonds2

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

1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62751317) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID62751317
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C12H16N2O2S/c1-8(15)11-7-13-12(17-11)14-5-6-16-10-4-2-3-9(10)14/h7,9-10H,2-6H2,1H3
InChIKeyZYYILJQQNOPCPP-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 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) is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N2CCOC3CCCC32)s1.
What is the InChIKey of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZYYILJQQNOPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(15)11-7-13-12(17-11)14-5-6-16-10-4-2-3-9(10)14/h7,9-10H,2-6H2,1H3.
What are the key properties of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 252.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).