ChemDB: Chemical Search
Download
Chemical ID: 6615203
Chemical ID:
6615203
Name [?]:
4-(4-fluorophenyl)-N-[(2-fluorophenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
c1ccc(c(c1)C=NNc2nc(cs2)c3ccc(cc3)F)F
InChi [?]:
InChI=1/C16H11F2N3S/c17-13-7-5-11(6-8-13)15-10-22-16(20-15)21-19-9-12-3-1-2-4-14(12)18/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,7,13,15,5,18,4,12,10,21,22,8,11,9,14/E:(5,6)(7,8)/rA:22nCCCCCCCNNCNCCSCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11F2N3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96662 |
Area: | 499.162 |
Solvation: | -3.51244 |
Coulombic: | -25.6914 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.43 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|