5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid

C7H9NO3S — CID 3736382

IUPAC5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid
SMILESO=C1CCC2(C(=O)O)SCCN12
InChIInChI=1S/C7H9NO3S/c9-5-1-2-7(6(10)11)8(5)3-4-12-7/h1-4H2,(H,10,11)
InChIKeyKUQNZOVOMLCCNA-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.14
Rot. Bonds1

About 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid

5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid (PubChem CID 3736382) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid
PubChem CID3736382
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid
SMILESO=C1CCC2(C(=O)O)SCCN12
InChIInChI=1S/C7H9NO3S/c9-5-1-2-7(6(10)11)8(5)3-4-12-7/h1-4H2,(H,10,11)
InChIKeyKUQNZOVOMLCCNA-UHFFFAOYSA-N
XLogP0.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid?
The IUPAC name of 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid (CID 3736382) is 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid.
What is the SMILES notation for 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid?
The canonical SMILES for 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid is O=C1CCC2(C(=O)O)SCCN12.
What is the InChIKey of 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid?
The InChIKey is KUQNZOVOMLCCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-5-1-2-7(6(10)11)8(5)3-4-12-7/h1-4H2,(H,10,11).
What are the key properties of 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid?
5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-7a-carboxylic acid is sourced from PubChem (CID 3736382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).