Chemical ID: 3988586

CCCCC(c1nc(cs1)C(=O)NC23CC4CC(C2)CC(C4)C3)N
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

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Experimental Annotations

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Descriptor Annotations

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