HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57831663Generated: October 29, 2026
{2-[3-(1-Acetyl-piperidin-4-yl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
https://huagongshe.com/en/chemical/57831663
Identifiers & Physical Properties
| Molecular formula | C20H30N4O4S2 |
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| Average molar mass | 454.6 g/mol |
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| Monoisotopic mass | 454.1708478 g/mol |
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| SMILES | CC(=O)N1CCC(N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCC(C)CC2)CC1 |
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| InChIKey | OPAKKUIAUWYXPN-UHFFFAOYSA-N |
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| PubChem CID | 57831663 |
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Chemical & Physical Properties
| XLogP | 3 |
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| Topological polar surface area | 156 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 622 |
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![{2-[3-(1-Acetyl-piperidin-4-yl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid molecular structure](/img/chemical/57831663.png)