About 2-tert-butyl-4-methylidene-1,3-thiazole
2-tert-butyl-4-methylidene-1,3-thiazole (PubChem CID 76779849) has the molecular formula C8H13NS
and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-tert-butyl-4-methylidene-1,3-thiazole.
Molecular Properties
| Compound Name | 2-tert-butyl-4-methylidene-1,3-thiazole |
|---|
| PubChem CID | 76779849 |
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| Molecular Formula | C8H13NS |
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| Molecular Weight | 155.27 g/mol |
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| Exact Mass | 155.08 |
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| IUPAC Name | 2-tert-butyl-4-methylidene-1,3-thiazole |
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| SMILES | C=C1CSC(C(C)(C)C)=N1 |
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| InChI | InChI=1S/C8H13NS/c1-6-5-10-7(9-6)8(2,3)4/h1,5H2,2-4H3 |
|---|
| InChIKey | AKMFJEFARUBXAU-UHFFFAOYSA-N |
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| XLogP | 2.69 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 155.27 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-4-methylidene-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-methylidene-1,3-thiazole (CID 76779849) is 2-tert-butyl-4-methylidene-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-methylidene-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-methylidene-1,3-thiazole is C=C1CSC(C(C)(C)C)=N1.
What is the InChIKey of 2-tert-butyl-4-methylidene-1,3-thiazole?
The InChIKey is AKMFJEFARUBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-5-10-7(9-6)8(2,3)4/h1,5H2,2-4H3.
What are the key properties of 2-tert-butyl-4-methylidene-1,3-thiazole?
2-tert-butyl-4-methylidene-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methylidene-1,3-thiazole is sourced from PubChem (CID 76779849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).