TL;DR: (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate (CAS 1164460-40-5) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(furan-2-carbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Also Known As: (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate, F1365-0300, methyl 2-(furan-2-carbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate, methyl (2Z)-2-[(furan-2-carbonyl)imino]-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C17H14N2O4S |
| Molecular Weight | 342.0674 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0674 Da |
| Heavy Atoms | 24 |
| Complexity | 551.0 |
| SMILES | COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CO3)S2)CC=C |
| InChIKey | KLLWPVIDHMACGB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is 1164460-40-5.
The molecular formula of (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is C17H14N2O4S.
The molecular weight of (Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate is 342.0674 g/mol.
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