2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid

C10H7N3O4S — CID 65214129

IUPAC2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1csnn1
InChIInChI=1S/C10H7N3O4S/c14-8-3-5(1-2-6(8)10(16)17)11-9(15)7-4-18-13-12-7/h1-4,14H,(H,11,15)(H,16,17)
InChIKeyABEQWUMIQVSWQV-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.19
Rot. Bonds3

About 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid

2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid (PubChem CID 65214129) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
PubChem CID65214129
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC Name2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1csnn1
InChIInChI=1S/C10H7N3O4S/c14-8-3-5(1-2-6(8)10(16)17)11-9(15)7-4-18-13-12-7/h1-4,14H,(H,11,15)(H,16,17)
InChIKeyABEQWUMIQVSWQV-UHFFFAOYSA-N
XLogP1.19
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214075
5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
CID 65214706
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
4-benzamidosalicylic acid, calcium salt
CID 126959845
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
4-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214660
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
N-(6-amino-3-pyridinyl)thiadiazole-4-carboxamide
CID 65216177

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid (CID 65214129) is 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1csnn1.
What is the InChIKey of 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid?
The InChIKey is ABEQWUMIQVSWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4S/c14-8-3-5(1-2-6(8)10(16)17)11-9(15)7-4-18-13-12-7/h1-4,14H,(H,11,15)(H,16,17).
What are the key properties of 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid?
2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid has a molecular weight of 265.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid is sourced from PubChem (CID 65214129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).