ChemDB: Chemical Search
Download
Chemical ID: 3988586
Chemical ID:
3988586
Name [?]:
N-(1-adamantyl)-2-(1-aminopentyl)thiazole-4-carboxamide
SMILES [?]:
CCCCC(c1nc(cs1)C(=O)NC23CC4CC(C2)CC(C4)C3)N
InChi [?]:
InChI=1/C19H29N3OS/c1-2-3-4-15(20)18-21-16(11-24-18)17(23)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,2-10,20H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,17,20,22,19,15,23,9,18,16,21,5,8,11,6,14,24,7,13,12,10/E:(5,6,7)(8,9,10)(12,13,14)/rA:24cCCCCCCNCCSCONCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5225 |
Area: | 554.559 |
Solvation: | -1.34151 |
Coulombic: | -42.8393 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.519 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 2.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|