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Chemical ID: 7198285
Chemical ID:
7198285
Name [?]:
4-(2,4-dichlorophenyl)-5-methyl-3H-thiazol-2-amine
SMILES [?]:
Cc1c([nH+]c(s1)N)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C10H8Cl2N2S/c1-5-9(14-10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,9,12,2,11,8,13,3,5,15,14,7,4,6/rA:15nCCCN+CSNCCCCCCClCl/rB:s1;d2;s3;d4;s2s5;s5;s3;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9Cl2N2S+ |
All Atoms: | 24 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.479 |
Area: | 414.199 |
Solvation: | -31.834 |
Coulombic: | -10.6672 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 260.163 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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