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Chemical ID: 6219326
Chemical ID:
6219326
Name [?]:
N-[4-(2-pyridyl)thiazol-2-yl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3
InChi [?]:
InChI=1/C15H11N3OS/c19-14(11-6-2-1-3-7-11)18-15-17-13(10-20-15)12-8-4-5-9-16-12/h1-10H,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,3,5,16,19,13,4,15,12,7,10,20,11,9,8,14/E:(2,3)(6,7)/rA:20nCCCCCCCONCNCCSCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11N3OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49927 |
Area: | 474.974 |
Solvation: | -2.37507 |
Coulombic: | -34.3665 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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