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Chemical ID: 3988590
Chemical ID:
3988590
Name [?]:
N-(1-adamantyl)-2-(4-piperidyl)thiazole-4-carboxamide
SMILES [?]:
c1c(nc(s1)C2CCNCC2)C(=O)NC34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C19H27N3OS/c23-17(16-11-24-18(21-16)15-1-3-20-4-2-15)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15,20H,1-10H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:7,11,8,10,18,21,23,20,16,24,1,19,17,22,6,2,12,4,15,9,3,14,13,5/E:(1,2)(3,4)(5,6,7)(8,9,10)(12,13,14)/rA:24nCCNCSCCCNCCCONCCCCCCCCCC/rB:d1;s2;d3;s1s4;s4;s6;s7;s8;s9;s6s10;s2;d12;s12;s14;s15;s16;s17;s18;s15s19;s19;s21;s17s22;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4585 |
Area: | 523.703 |
Solvation: | -1.6341 |
Coulombic: | -37.9082 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 345.503 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.88 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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