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Chemical ID: 5431297
Chemical ID:
5431297
Name [?]:
4-(4-bromophenyl)-5-methyl-N-sec-butyl-thiazol-2-amine
SMILES [?]:
CCC(C)Nc1nc(c(s1)C)c2ccc(cc2)Br
InChi [?]:
InChI=1/C14H17BrN2S/c1-4-9(2)16-14-17-13(10(3)18-14)11-5-7-12(15)8-6-11/h5-9H,4H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,11,2,13,17,14,16,3,9,12,15,8,6,18,5,7,10/E:(5,6)(7,8)/rA:18cCCCCNCNCCSCCCCCCCBr/rB:s1;s2;s3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17BrN2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8248 |
Area: | 476.057 |
Solvation: | -1.07665 |
Coulombic: | -20.4152 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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