About 7-methylpyrazolo[5,1-b][1,3]thiazole
7-methylpyrazolo[5,1-b][1,3]thiazole (PubChem CID 58094764) has the molecular formula C6H6N2S
and a molecular weight of 138.19 g/mol. Its IUPAC name is 7-methylpyrazolo[5,1-b][1,3]thiazole.
Molecular Properties
| Compound Name | 7-methylpyrazolo[5,1-b][1,3]thiazole |
|---|
| PubChem CID | 58094764 |
|---|
| Molecular Formula | C6H6N2S |
|---|
| Molecular Weight | 138.19 g/mol |
|---|
| Exact Mass | 138.03 |
|---|
| IUPAC Name | 7-methylpyrazolo[5,1-b][1,3]thiazole |
|---|
| SMILES | Cc1cnn2ccsc12 |
|---|
| InChI | InChI=1S/C6H6N2S/c1-5-4-7-8-2-3-9-6(5)8/h2-4H,1H3 |
|---|
| InChIKey | MNURAKJYDQCIGS-UHFFFAOYSA-N |
|---|
| XLogP | 1.70 |
|---|
| TPSA | 17.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 138.19 |
| LogP ≤ 5 | 1.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 7-methylpyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 7-methylpyrazolo[5,1-b][1,3]thiazole (CID 58094764) is 7-methylpyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-methylpyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-methylpyrazolo[5,1-b][1,3]thiazole is Cc1cnn2ccsc12.
What is the InChIKey of 7-methylpyrazolo[5,1-b][1,3]thiazole?
The InChIKey is MNURAKJYDQCIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-5-4-7-8-2-3-9-6(5)8/h2-4H,1H3.
What are the key properties of 7-methylpyrazolo[5,1-b][1,3]thiazole?
7-methylpyrazolo[5,1-b][1,3]thiazole has a molecular weight of 138.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 58094764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).