6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C16H20N2O4S — CID 120514810

IUPAC6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1csc(C3CCCO3)n1)CC2
InChIInChI=1S/C16H20N2O4S/c19-14(11-9-23-13(17-11)12-2-1-7-22-12)18-5-3-16(4-6-18)8-10(16)15(20)21/h9-10,12H,1-8H2,(H,20,21)
InChIKeyPQROGWXDHYDAEZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.32
Rot. Bonds3

About 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514810) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514810
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1csc(C3CCCO3)n1)CC2
InChIInChI=1S/C16H20N2O4S/c19-14(11-9-23-13(17-11)12-2-1-7-22-12)18-5-3-16(4-6-18)8-10(16)15(20)21/h9-10,12H,1-8H2,(H,20,21)
InChIKeyPQROGWXDHYDAEZ-UHFFFAOYSA-N
XLogP2.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174547
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997152
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552
6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175147
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 102553338
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone
CID 122155919

Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514810) is 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1csc(C3CCCO3)n1)CC2.
What is the InChIKey of 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is PQROGWXDHYDAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-14(11-9-23-13(17-11)12-2-1-7-22-12)18-5-3-16(4-6-18)8-10(16)15(20)21/h9-10,12H,1-8H2,(H,20,21).
What are the key properties of 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).