Chemical ID: 5914062

CCN(CC)CCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccncc2
Chemical ID:
5914062
Name [?]:
N-(2-diethylaminoethyl)-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]pyridine-4-carboxamide
SMILES [?]:
CCN(CC)CCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccncc2
InChi [?]:
InChI=1/C19H27N5O2S/c1-5-23(6-2)11-12-24(18(26)16-7-9-20-10-8-16)13-17(25)22-19-21-14(3)15(4)27-19/h7-10H,5-6,11-13H2,1-4H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,19,18,2,4,23,27,24,26,6,7,9,15,16,22,10,20,13,25,14,12,3,8,11,21,17/E:(1,2)(5,6)(7,8)(9,10)/rA:27nCCNCCCCNCCONCNCCSCCCOCCCNCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;s8;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N5O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4698
Area:622.284
Solvation:-5.08731
Coulombic:-50.3342
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.516
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.73
LogP (Chemaxon):0.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue