TL;DR: (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide (CAS 1321657-97-9) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)propanamide
Also Known As: (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide, 2-methyl-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)propanamide, F1815-0968, 2-methyl-N-[(2Z)-3-(prop-2-en-1-yl)-2H,3H-naphtho[2,1-d][1,3]thiazol-2-ylidene]propanamide
| Molecular Formula | C18H18N2OS |
| Molecular Weight | 310.11398 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.11398 Da |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
| SMILES | CC(C)C(=O)N=C1N(C2=C(S1)C3=CC=CC=C3C=C2)CC=C |
| InChIKey | MEVGVASFWOIOPM-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide is 1321657-97-9.
The molecular formula of (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide is C18H18N2OS.
The molecular weight of (Z)-N-(3-allylnaphtho[2,1-d]thiazol-2(3H)-ylidene)isobutyramide is 310.11398 g/mol.
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