About 6-tert-butylthiadiazolo[5,4-c]pyridine
6-tert-butylthiadiazolo[5,4-c]pyridine (PubChem CID 90328704) has the molecular formula C9H11N3S
and a molecular weight of 193.27 g/mol. Its IUPAC name is 6-tert-butylthiadiazolo[5,4-c]pyridine.
Molecular Properties
| Compound Name | 6-tert-butylthiadiazolo[5,4-c]pyridine |
|---|
| PubChem CID | 90328704 |
|---|
| Molecular Formula | C9H11N3S |
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| Molecular Weight | 193.27 g/mol |
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| Exact Mass | 193.07 |
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| IUPAC Name | 6-tert-butylthiadiazolo[5,4-c]pyridine |
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| SMILES | CC(C)(C)c1cc2nnsc2cn1 |
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| InChI | InChI=1S/C9H11N3S/c1-9(2,3)8-4-6-7(5-10-8)13-12-11-6/h4-5H,1-3H3 |
|---|
| InChIKey | JWLMSGDWUDPOCD-UHFFFAOYSA-N |
|---|
| XLogP | 2.38 |
|---|
| TPSA | 38.67 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 193.27 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 6-tert-butylthiadiazolo[5,4-c]pyridine?
The IUPAC name of 6-tert-butylthiadiazolo[5,4-c]pyridine (CID 90328704) is 6-tert-butylthiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 6-tert-butylthiadiazolo[5,4-c]pyridine?
The canonical SMILES for 6-tert-butylthiadiazolo[5,4-c]pyridine is CC(C)(C)c1cc2nnsc2cn1.
What is the InChIKey of 6-tert-butylthiadiazolo[5,4-c]pyridine?
The InChIKey is JWLMSGDWUDPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-9(2,3)8-4-6-7(5-10-8)13-12-11-6/h4-5H,1-3H3.
What are the key properties of 6-tert-butylthiadiazolo[5,4-c]pyridine?
6-tert-butylthiadiazolo[5,4-c]pyridine has a molecular weight of 193.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylthiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 90328704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).