General Information of the Compound
| Compound ID |
CP0416875
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| Compound Name |
N-(2,4-dimethylphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C16H17N3S2
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| Molecular Weight |
315.467
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(C)cc2C)n1
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| InChI |
InChI=1S/C16H17N3S2/c1-9-5-6-13(10(2)7-9)18-16-19-14(8-20-16)15-11(3)17-12(4)21-15/h5-8H,1-4H3,(H,18,19)
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| InChIKey |
MLFGFYZPPJEPDH-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