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Chemical ID: 7356589
Chemical ID:
7356589
Name [?]:
5-methyl-4-(p-tolyl)-N-tert-butyl-thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(C)(C)C)C
InChi [?]:
InChI=1/C15H20N2S/c1-10-6-8-12(9-7-10)13-11(2)18-14(16-13)17-15(3,4)5/h6-9H,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,15,16,17,3,7,4,6,2,9,5,8,11,14,12,13,10/E:(3,4,5)(6,7)(8,9)/rA:18nCCCCCCCCCSCNNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;s14;s14;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2S |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2021 |
Area: | 453.504 |
Solvation: | -1.13551 |
Coulombic: | -20.1116 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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