AC1LE5NP
(E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide|(E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide|(2E)-2-cyano-N-(5-methyl(1,3,4-thiadiazol-2-yl))-3-[4-(methylethyl)phenyl]prop -2-enamide|(2E)-2-cyano-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.1045 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1045 |
| Monoisotopic Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 469872-55-7 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)/C(=C/C2=CC=C(C=C2)C(C)C)/C#N |
| InChIKey | XJBFJKAHVMAQAW-RIYZIHGNSA-N |
Product Overview
AC1LE5NP (CAS 469872-55-7), with molecular formula C16H16N4OS and molecular weight 312.1045 g/mol. IUPAC: (E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
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