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Chemical ID: 3988497
Chemical ID:
3988497
Name [?]:
2-(1-amino-3-methyl-butyl)-N-(2,2,6,6-tetramethyl-4-piperidyl)-thiazole-4-carboxamide
SMILES [?]:
CC(C)CC(c1nc(cs1)C(=O)NC2CC(NC(C2)(C)C)(C)C)N
InChi [?]:
InChI=1/C18H32N4OS/c1-11(2)7-13(19)16-21-14(10-24-16)15(23)20-12-8-17(3,4)22-18(5,6)9-12/h10-13,22H,7-9,19H2,1-6H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,22,23,4,19,15,9,2,14,5,8,11,6,18,16,24,13,7,17,12,10/E:(1,2)(3,4,5,6)(8,9)(17,18)/rA:24cCCCCCCNCCSCONCCCNCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s18;s16;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32N4OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9506 |
Area: | 589.939 |
Solvation: | -1.7979 |
Coulombic: | -50.5943 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.539 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.95 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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