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

C11H14N2O3S — CID 62752600

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C11H14N2O3S/c14-10(15)9-6-12-11(17-9)13-4-5-16-8-3-1-2-7(8)13/h6-8H,1-5H2,(H,14,15)
InChIKeyDMVGLSBSXVESDT-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.60
Rot. Bonds2

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62752600) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62752600
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C11H14N2O3S/c14-10(15)9-6-12-11(17-9)13-4-5-16-8-3-1-2-7(8)13/h6-8H,1-5H2,(H,14,15)
InChIKeyDMVGLSBSXVESDT-UHFFFAOYSA-N
XLogP1.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid (CID 62752600) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCOC3CCCC32)s1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DMVGLSBSXVESDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10(15)9-6-12-11(17-9)13-4-5-16-8-3-1-2-7(8)13/h6-8H,1-5H2,(H,14,15).
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62752600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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