2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

C10H9N3O4S2 — CID 24701768

IUPAC2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C10H9N3O4S2/c14-9(15)4-7-6-18-10(12-7)13-19(16,17)8-2-1-3-11-5-8/h1-3,5-6H,4H2,(H,12,13)(H,14,15)
InChIKeyWHGBOISQBZGXEZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.97
Rot. Bonds5

About 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 24701768) has the molecular formula C10H9N3O4S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID24701768
Molecular FormulaC10H9N3O4S2
Molecular Weight299.33 g/mol
Exact Mass299.00
IUPAC Name2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C10H9N3O4S2/c14-9(15)4-7-6-18-10(12-7)13-19(16,17)8-2-1-3-11-5-8/h1-3,5-6H,4H2,(H,12,13)(H,14,15)
InChIKeyWHGBOISQBZGXEZ-UHFFFAOYSA-N
XLogP0.97
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
CID 80655396
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 62063668
2-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170592
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (CID 24701768) is 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WHGBOISQBZGXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S2/c14-9(15)4-7-6-18-10(12-7)13-19(16,17)8-2-1-3-11-5-8/h1-3,5-6H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 24701768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).