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Chemical ID: 7374492
Chemical ID:
7374492
Name [?]:
4-(3,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]thiazol-2-amine
SMILES [?]:
COc1ccccc1CNc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C17H14F2N2OS/c1-22-16-5-3-2-4-12(16)9-20-17-21-15(10-23-17)11-6-7-13(18)14(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,18,21,9,14,16,8,19,20,13,3,11,23,22,10,12,2,15/rA:23nCOCCCCCCCNCNCCSCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F2N2OS |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24066 |
Area: | 520.462 |
Solvation: | -4.7709 |
Coulombic: | -33.8964 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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