3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid

C11H7N3O4S3 — CID 123499855

IUPAC3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1nsc2ccncc12
InChIInChI=1S/C11H7N3O4S3/c15-11(16)9-7(2-4-19-9)14-21(17,18)10-6-5-12-3-1-8(6)20-13-10/h1-5,14H,(H,15,16)
InChIKeyDBNJDFPASYMJBB-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.25
Rot. Bonds4

About 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid

3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 123499855) has the molecular formula C11H7N3O4S3 and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID123499855
Molecular FormulaC11H7N3O4S3
Molecular Weight341.40 g/mol
Exact Mass340.96
IUPAC Name3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1nsc2ccncc12
InChIInChI=1S/C11H7N3O4S3/c15-11(16)9-7(2-4-19-9)14-21(17,18)10-6-5-12-3-1-8(6)20-13-10/h1-5,14H,(H,15,16)
InChIKeyDBNJDFPASYMJBB-UHFFFAOYSA-N
XLogP2.25
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
CID 102690657
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
4-iodo-2-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)benzoic acid
CID 91330754
3-([1,2]thiazolo[4,5-c]pyridin-4-ylsulfonylamino)naphthalene-2-carboxylic acid
CID 91001172
3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43442992
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16773059

Frequently Asked Questions

What is the IUPAC name of 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid (CID 123499855) is 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid is O=C(O)c1sccc1NS(=O)(=O)c1nsc2ccncc12.
What is the InChIKey of 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is DBNJDFPASYMJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4S3/c15-11(16)9-7(2-4-19-9)14-21(17,18)10-6-5-12-3-1-8(6)20-13-10/h1-5,14H,(H,15,16).
What are the key properties of 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 341.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2]thiazolo[4,5-c]pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 123499855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).