5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid

C11H7N3O5S — CID 65214706

IUPAC5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2csnn2)cc(C(=O)O)c1
InChIInChI=1S/C11H7N3O5S/c15-9(8-4-20-14-13-8)12-7-2-5(10(16)17)1-6(3-7)11(18)19/h1-4H,(H,12,15)(H,16,17)(H,18,19)
InChIKeyVMLIJNYYXRKBLH-UHFFFAOYSA-N
MW293.26 g/mol
LogP1.19
Rot. Bonds4

About 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid

5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid (PubChem CID 65214706) has the molecular formula C11H7N3O5S and a molecular weight of 293.26 g/mol. Its IUPAC name is 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
PubChem CID65214706
Molecular FormulaC11H7N3O5S
Molecular Weight293.26 g/mol
Exact Mass293.01
IUPAC Name5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2csnn2)cc(C(=O)O)c1
InChIInChI=1S/C11H7N3O5S/c15-9(8-4-20-14-13-8)12-7-2-5(10(16)17)1-6(3-7)11(18)19/h1-4H,(H,12,15)(H,16,17)(H,18,19)
InChIKeyVMLIJNYYXRKBLH-UHFFFAOYSA-N
XLogP1.19
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214609
2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214129
5-chloro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214075
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
4-[(thiadiazole-4-carbonylamino)methyl]benzoic acid
CID 62033869
N-(6-amino-3-pyridinyl)thiadiazole-4-carboxamide
CID 65216177
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
3-[4-(thiadiazole-4-carbonylamino)phenyl]butanoic acid
CID 104501495
(thiadiazole-4-carbonylamino)thiourea
CID 65216202

Frequently Asked Questions

What is the IUPAC name of 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid (CID 65214706) is 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2csnn2)cc(C(=O)O)c1.
What is the InChIKey of 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is VMLIJNYYXRKBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O5S/c15-9(8-4-20-14-13-8)12-7-2-5(10(16)17)1-6(3-7)11(18)19/h1-4H,(H,12,15)(H,16,17)(H,18,19).
What are the key properties of 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid?
5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 293.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 65214706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).