5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

C12H11N3O5S2 — CID 157431483

IUPAC5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Cc1ccc(S(=O)(=O)Nc2scnc2C(=O)O)cn1
InChIInChI=1S/C12H11N3O5S2/c1-7(16)4-8-2-3-9(5-13-8)22(19,20)15-11-10(12(17)18)14-6-21-11/h2-3,5-6,15H,4H2,1H3,(H,17,18)
InChIKeyBQOZAUXFZACUQG-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.17
Rot. Bonds6

About 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 157431483) has the molecular formula C12H11N3O5S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID157431483
Molecular FormulaC12H11N3O5S2
Molecular Weight341.37 g/mol
Exact Mass341.01
IUPAC Name5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Cc1ccc(S(=O)(=O)Nc2scnc2C(=O)O)cn1
InChIInChI=1S/C12H11N3O5S2/c1-7(16)4-8-2-3-9(5-13-8)22(19,20)15-11-10(12(17)18)14-6-21-11/h2-3,5-6,15H,4H2,1H3,(H,17,18)
InChIKeyBQOZAUXFZACUQG-UHFFFAOYSA-N
XLogP1.17
TPSA126.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 157431483) is 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is CC(=O)Cc1ccc(S(=O)(=O)Nc2scnc2C(=O)O)cn1.
What is the InChIKey of 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BQOZAUXFZACUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S2/c1-7(16)4-8-2-3-9(5-13-8)22(19,20)15-11-10(12(17)18)14-6-21-11/h2-3,5-6,15H,4H2,1H3,(H,17,18).
What are the key properties of 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 157431483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).