HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178498121Generated: October 25, 2026
Methyl 3-methyl-4-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzoate
https://huagongshe.com/en/chemical/178498121
Identifiers & Physical Properties
| Molecular formula | C16H22N2O2S |
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| Average molar mass | 306.4 g/mol |
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| Monoisotopic mass | 306.14019912 g/mol |
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| SMILES | COC(=O)c1ccc(N=C2NC(CC(C)C)CS2)c(C)c1 |
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| InChIKey | DTSBJYANPJRHRU-UHFFFAOYSA-N |
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| PubChem CID | 18316218 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 76 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 398 |
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![Methyl 3-methyl-4-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzoate molecular structure](/img/chemical/178498121.png)