About Silthiofam-des(trimethylsilyl)
Silthiofam-des(trimethylsilyl) (PubChem CID 84557985) has the molecular formula C10H13NOS
and a molecular weight of 195.28 g/mol. Its IUPAC name is 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide.
Molecular Properties
| Compound Name | Silthiofam-des(trimethylsilyl) |
| PubChem CID | 84557985 |
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.28 g/mol |
| Exact Mass | 195.07 |
| IUPAC Name | 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide |
| SMILES | CC1=C(SC=C1C(=O)NCC=C)C |
| InChI | InChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12) |
| InChIKey | DGCYKBAFUIYUEX-UHFFFAOYSA-N |
| XLogP | 2.30 |
| TPSA | 57.30 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | 205 |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 195.28 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of Silthiofam-des(trimethylsilyl)?
The IUPAC name of Silthiofam-des(trimethylsilyl) (CID 84557985) is 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide.
What is the SMILES notation for Silthiofam-des(trimethylsilyl)?
The canonical SMILES for Silthiofam-des(trimethylsilyl) is CC1=C(SC=C1C(=O)NCC=C)C.
What is the InChIKey of Silthiofam-des(trimethylsilyl)?
The InChIKey is DGCYKBAFUIYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12).
What are the key properties of Silthiofam-des(trimethylsilyl)?
Silthiofam-des(trimethylsilyl) has a molecular weight of 195.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Silthiofam-des(trimethylsilyl) is sourced from PubChem (CID 84557985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).