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Chemical ID: 7255047
Chemical ID:
7255047
Name [?]:
4-[4-(difluoromethoxy)phenyl]-5-methyl-thiazol-2-amine
SMILES [?]:
Cc1c(nc(s1)N)c2ccc(cc2)OC(F)F
InChi [?]:
InChI=1/C11H10F2N2OS/c1-6-9(15-11(14)17-6)7-2-4-8(5-3-7)16-10(12)13/h2-5,10H,1H3,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,13,10,12,2,8,11,3,15,5,16,17,7,4,14,6/E:(2,3)(4,5)(12,13)/rA:17nCCCNCSNCCCCCCOCFF/rB:s1;d2;s3;d4;s2s5;s5;s3;s8;d9;s10;d11;d8s12;s11;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10F2N2OS |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20873 |
Area: | 404.699 |
Solvation: | -2.90875 |
Coulombic: | -42.8486 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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