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Chemical ID: 6741713
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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Experimental Annotations
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Descriptor Annotations
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