2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C11H11N3O4S2 — CID 52988121

IUPAC2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESNc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-8(6-19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)
InChIKeyYXQUEZGLCGLNPE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 52988121) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID52988121
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC Name2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESNc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-8(6-19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)
InChIKeyYXQUEZGLCGLNPE-UHFFFAOYSA-N
XLogP1.15
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfamethylthiazole
CID 68194
[2-(3-Nitro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 3105419
Ethyl (2-{[(4-nitrophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1931972
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1133217
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
Sulfaethylthiazole sodium
CID 23692298
[2-(2-Fluoro-phenylamino)-thiazol-4-yl]-acetic acid
CID 4769786
2-(2-(2-(Phenylsulfonyl)acetamido)thiazol-4-yl)acetic acid
CID 44568203
{2-[(Phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid
CID 16394950
(2-{[(4-Aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid
CID 102196664
Methyl (4-(2-oxo-2-((4-sulfamoylphenyl)amino)ethyl)thiazol-2-yl)carbamate
CID 16883849

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 52988121) is 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YXQUEZGLCGLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-8(6-19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 52988121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).