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Chemical ID: 7365866
Chemical ID:
7365866
Name [?]:
4-(4-ethylphenyl)-5-methyl-N-tert-butyl-thiazol-2-amine
SMILES [?]:
CCc1ccc(cc1)c2c(sc(n2)NC(C)(C)C)C
InChi [?]:
InChI=1/C16H22N2S/c1-6-12-7-9-13(10-8-12)14-11(2)19-15(17-14)18-16(3,4)5/h7-10H,6H2,1-5H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,16,17,18,2,4,8,5,7,10,3,6,9,12,15,13,14,11/E:(3,4,5)(7,8)(9,10)/rA:19nCCCCCCCCCCSCNNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;s15;s15;s15;s10;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2S |
All Atoms: | 41 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8121 |
Area: | 477.68 |
Solvation: | -1.1299 |
Coulombic: | -20.469 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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