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Chemical ID: 5453628
Chemical ID:
5453628
Name [?]:
4-(3,4-dimethylphenyl)-2-methyl-5-phenyl-thiazole
SMILES [?]:
Cc1ccc(cc1C)c2c(sc(n2)C)c3ccccc3
InChi [?]:
InChI=1/C18H17NS/c1-12-9-10-16(11-13(12)2)17-18(20-14(3)19-17)15-7-5-4-6-8-15/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,14,18,17,19,16,20,3,4,6,2,7,12,15,5,9,10,13,11/E:(5,6)(7,8)/rA:20nCCCCCCCCCCSCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s10;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7202 |
Area: | 474.539 |
Solvation: | -1.14323 |
Coulombic: | -9.05228 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 279.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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