Chemical ID: 6219329

Cc1ccccc1C(=O)Nc2nc(cs2)c3ccccn3
Chemical ID:
6219329
Name [?]:
2-methyl-N-[4-(2-pyridyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nc(cs2)c3ccccn3
InChi [?]:
InChI=1/C16H13N3OS/c1-11-6-2-3-7-12(11)15(20)19-16-18-14(10-21-16)13-8-4-5-9-17-13/h2-10H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,18,19,3,6,17,20,14,2,7,16,13,8,11,21,12,10,9,15/rA:21nCCCCCCCCONCNCCSCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.86667
Area:485.693
Solvation:-2.27566
Coulombic:-34.2899
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.36
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.1
LogP (Chemaxon):4.0

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Descriptor Annotations

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