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Chemical ID: 3988496
Chemical ID:
3988496
Name [?]:
2-(1-aminopentyl)-N-(2,2,6,6-tetramethyl-4-piperidyl)-thiazole-4-carboxamide
SMILES [?]:
CCCCC(c1nc(cs1)C(=O)NC2CC(NC(C2)(C)C)(C)C)N
InChi [?]:
InChI=1/C18H32N4OS/c1-6-7-8-13(19)16-21-14(11-24-16)15(23)20-12-9-17(2,3)22-18(4,5)10-12/h11-13,22H,6-10,19H2,1-5H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,23,2,3,4,19,15,9,14,5,8,11,6,18,16,24,13,7,17,12,10/E:(2,3,4,5)(9,10)(17,18)/rA:24cCCCCCCNCCSCONCCCNCCCCCCN/rB:s1;s2;s3;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: | 13.1634 |
Area: | 598.866 |
Solvation: | -1.80827 |
Coulombic: | -50.638 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.539 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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