2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid

C12H15N3O3S — CID 174166972

IUPAC2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESO=C(Nc1cncs1)C1CC12CCN(C(=O)O)CC2
InChIInChI=1S/C12H15N3O3S/c16-10(14-9-6-13-7-19-9)8-5-12(8)1-3-15(4-2-12)11(17)18/h6-8H,1-5H2,(H,14,16)(H,17,18)
InChIKeyDSIBUBLLWNSOHA-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.86
Rot. Bonds2

About 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid

2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 174166972) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID174166972
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESO=C(Nc1cncs1)C1CC12CCN(C(=O)O)CC2
InChIInChI=1S/C12H15N3O3S/c16-10(14-9-6-13-7-19-9)8-5-12(8)1-3-15(4-2-12)11(17)18/h6-8H,1-5H2,(H,14,16)(H,17,18)
InChIKeyDSIBUBLLWNSOHA-UHFFFAOYSA-N
XLogP1.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid (CID 174166972) is 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid is O=C(Nc1cncs1)C1CC12CCN(C(=O)O)CC2.
What is the InChIKey of 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is DSIBUBLLWNSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-10(14-9-6-13-7-19-9)8-5-12(8)1-3-15(4-2-12)11(17)18/h6-8H,1-5H2,(H,14,16)(H,17,18).
What are the key properties of 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid?
2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 174166972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).