Chemical ID: 6219326

c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3
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

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Descriptor Annotations

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