Chemical ID: 6741713

Cc1cccc([nH+]1)Nc2nc(cs2)c3cc[nH+]cc3
Chemical ID:
6741713
Name [?]:
2-methyl-N-[4-(1H-pyridin-4-yl)thiazol-2-yl]-1H-pyridin-6-amine
SMILES [?]:
Cc1cccc([nH+]1)Nc2nc(cs2)c3cc[nH+]cc3
InChi [?]:
InChI=1/C14H12N4S/c1-10-3-2-4-13(16-10)18-14-17-12(9-19-14)11-5-7-15-8-6-11/h2-9H,1H3,(H,16,17,18)/p+2
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,19,16,18,12,2,14,11,6,9,17,7,10,8,13/E:(5,6)(7,8)/rA:19nCCCCCCN+NCNCCSCCCN+CC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N4S+2
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-70.6797
Area:453.211
Solvation:-82.01
Coulombic:16.753
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.354
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.61
LogP (Chemaxon):2.89

Name Annotations

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Descriptor Annotations

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