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Chemical ID: 5612064
Chemical ID:
5612064
Name [?]:
4-(4-chlorophenyl)-5-ethyl-thiazol-2-amine
SMILES [?]:
CCc1c(nc(s1)N)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C11H11ClN2S/c1-2-9-10(14-11(13)15-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,14,11,13,9,12,3,4,6,15,8,5,7/E:(3,4)(5,6)/rA:15nCCCCNCSNCCCCCCCl/rB:s1;s2;d3;s4;d5;s3s6;s6;s4;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11ClN2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18388 |
Area: | 410.973 |
Solvation: | -1.09044 |
Coulombic: | -24.8369 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.737 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.77 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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