Chemical ID: 3988576

CCCCC(c1nc(cs1)C(=O)N2CCC(CC2)N3CCCCC3)N
Chemical ID:
3988576
Name [?]:
[2-(1-aminopentyl)thiazol-4-yl]-[4-(1-piperidyl)-1-piperidyl]-methanone
SMILES [?]:
CCCCC(c1nc(cs1)C(=O)N2CCC(CC2)N3CCCCC3)N
InChi [?]:
InChI=1/C19H32N4OS/c1-2-3-7-16(20)18-21-17(14-25-18)19(24)23-12-8-15(9-13-23)22-10-5-4-6-11-22/h14-16H,2-13,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,22,21,23,4,15,17,20,24,14,18,9,16,5,8,6,11,25,7,19,13,12,10/E:(5,6)(8,9)(10,11)(12,13)/rA:25cCCCCCCNCCSCONCCCCCNCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;s21;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32N4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.8806
Area:599.351
Solvation:-2.10314
Coulombic:-42.1503
Bond Count [?]
All:27
Single:24
Double:3
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:364.55
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.5
LogP (Chemaxon):1.82

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Descriptor Annotations

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