8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

C9H13NO3S — CID 19790838

IUPAC8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCC12CCCC(=O)N1C(C(=O)O)CS2
InChIInChI=1S/C9H13NO3S/c1-9-4-2-3-7(11)10(9)6(5-14-9)8(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyIWRKWNZHEFQNDW-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.92
Rot. Bonds1

About 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (PubChem CID 19790838) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
PubChem CID19790838
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCC12CCCC(=O)N1C(C(=O)O)CS2
InChIInChI=1S/C9H13NO3S/c1-9-4-2-3-7(11)10(9)6(5-14-9)8(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyIWRKWNZHEFQNDW-UHFFFAOYSA-N
XLogP0.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (CID 19790838) is 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is CC12CCCC(=O)N1C(C(=O)O)CS2.
What is the InChIKey of 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The InChIKey is IWRKWNZHEFQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9-4-2-3-7(11)10(9)6(5-14-9)8(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-5-oxo-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19790838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).