2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid

C12H11N3O5S2 — CID 146122970

IUPAC2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H11N3O5S2/c16-10(17)7-14-11(18)8-1-3-9(4-2-8)22(19,20)15-12-13-5-6-21-12/h1-6H,7H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyOYDMWLJVHVUDKC-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.76
Rot. Bonds6

About 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid

2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 146122970) has the molecular formula C12H11N3O5S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID146122970
Molecular FormulaC12H11N3O5S2
Molecular Weight341.37 g/mol
Exact Mass341.01
IUPAC Name2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H11N3O5S2/c16-10(17)7-14-11(18)8-1-3-9(4-2-8)22(19,20)15-12-13-5-6-21-12/h1-6H,7H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyOYDMWLJVHVUDKC-UHFFFAOYSA-N
XLogP0.76
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 45307830
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid (CID 146122970) is 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is OYDMWLJVHVUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S2/c16-10(17)7-14-11(18)8-1-3-9(4-2-8)22(19,20)15-12-13-5-6-21-12/h1-6H,7H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid?
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 341.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 146122970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).