About 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide (PubChem CID 114912821) has the molecular formula C10H9N3O2S
and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide.
Molecular Properties
| Compound Name | 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide |
| PubChem CID | 114912821 |
| Molecular Formula | C10H9N3O2S |
| Molecular Weight | 235.27 g/mol |
| Exact Mass | 235.04 |
| IUPAC Name | 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide |
| SMILES | Cc1cccc(C(=O)Nc2cnns2)c1O |
| InChI | InChI=1S/C10H9N3O2S/c1-6-3-2-4-7(9(6)14)10(15)12-8-5-11-13-16-8/h2-5,14H,1H3,(H,12,15) |
| InChIKey | KANUUORJEWKFCN-UHFFFAOYSA-N |
| XLogP | 1.80 |
| TPSA | 75.11 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.27 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide (CID 114912821) is 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide is Cc1cccc(C(=O)Nc2cnns2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
The InChIKey is KANUUORJEWKFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-3-2-4-7(9(6)14)10(15)12-8-5-11-13-16-8/h2-5,14H,1H3,(H,12,15).
What are the key properties of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114912821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).