General Information of the Compound
| Compound ID |
CP0424605
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| Compound Name |
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C11H20N2S2
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| Molecular Weight |
244.429
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| Canonical SMILES |
CN(C)CCSc1nc(cs1)C(C)(C)C
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| InChI |
InChI=1S/C11H20N2S2/c1-11(2,3)9-8-15-10(12-9)14-7-6-13(4)5/h8H,6-7H2,1-5H3
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| InChIKey |
OSPHUVJGYFZGRF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor