About azane;3,5-dimethyl-1,2,4-thiadiazole
azane;3,5-dimethyl-1,2,4-thiadiazole (PubChem CID 68711566) has the molecular formula C4H9N3S
and a molecular weight of 131.20 g/mol. Its IUPAC name is azane;3,5-dimethyl-1,2,4-thiadiazole.
Molecular Properties
| Compound Name | azane;3,5-dimethyl-1,2,4-thiadiazole |
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| PubChem CID | 68711566 |
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| Molecular Formula | C4H9N3S |
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| Molecular Weight | 131.20 g/mol |
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| Exact Mass | 131.05 |
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| IUPAC Name | azane;3,5-dimethyl-1,2,4-thiadiazole |
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| SMILES | Cc1nsc(C)n1.N |
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| InChI | InChI=1S/C4H6N2S.H3N/c1-3-5-4(2)7-6-3;/h1-2H3;1H3 |
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| InChIKey | IJJBXQKTSJRRNG-UHFFFAOYSA-N |
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| XLogP | 1.32 |
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| TPSA | 60.78 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 131.20 |
| LogP ≤ 5 | 1.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of azane;3,5-dimethyl-1,2,4-thiadiazole?
The IUPAC name of azane;3,5-dimethyl-1,2,4-thiadiazole (CID 68711566) is azane;3,5-dimethyl-1,2,4-thiadiazole.
What is the SMILES notation for azane;3,5-dimethyl-1,2,4-thiadiazole?
The canonical SMILES for azane;3,5-dimethyl-1,2,4-thiadiazole is Cc1nsc(C)n1.N.
What is the InChIKey of azane;3,5-dimethyl-1,2,4-thiadiazole?
The InChIKey is IJJBXQKTSJRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.H3N/c1-3-5-4(2)7-6-3;/h1-2H3;1H3.
What are the key properties of azane;3,5-dimethyl-1,2,4-thiadiazole?
azane;3,5-dimethyl-1,2,4-thiadiazole has a molecular weight of 131.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,5-dimethyl-1,2,4-thiadiazole is sourced from PubChem (CID 68711566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).