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Chemical ID: 6219329
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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