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Chemical ID: 7285007
Chemical ID:
7285007
Name [?]:
4-(4-bromophenyl)-N,5-dimethyl-thiazol-2-amine
SMILES [?]:
Cc1c(nc(s1)NC)c2ccc(cc2)Br
InChi [?]:
InChI=1/C11H11BrN2S/c1-7-10(14-11(13-2)15-7)8-3-5-9(12)6-4-8/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,10,14,11,13,2,9,12,3,5,15,7,4,6/E:(3,4)(5,6)/rA:15nCCCNCSNCCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s5;s7;s3;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11BrN2S |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09168 |
Area: | 410.597 |
Solvation: | -1.17323 |
Coulombic: | -19.6804 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 283.189 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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