AC1NUD82
2-(1,3-benzothiazol-2-yl)-4-(propan-2-yliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one|(4E)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one|(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one|1-(1,3-benzothiazol-2-yl)-4-[(E)-(propan-2-ylimino)methyl]-3-propyl-1H-pyrazol-5-ol|2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.13577 g/mol |
| LogP | 3.5551 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.13577 |
| Monoisotopic Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 867.84436 |
Chemical Identifiers
| CAS Number | 498538-40-2 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NC(C)C |
Product Overview
AC1NUD82 (CAS 498538-40-2), with molecular formula C17H20N4OS and molecular weight 328.13577 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(propan-2-yliminomethyl)-5-propyl-1H-pyrazol-3-one.
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