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Chemical ID: 5459671
Chemical ID:
5459671
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1ncc(s1)Cc2ccccc2F
InChi [?]:
InChI=1/C12H11FN2OS/c1-8(16)15-12-14-7-10(17-12)6-9-4-2-3-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,10,7,2,11,8,16,5,17,6,4,3,9/rA:17nCCONCNCCSCCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11FN2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71667 |
Area: | 422.956 |
Solvation: | -3.85721 |
Coulombic: | -28.3269 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.39 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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