Chemical ID: 5431297

CCC(C)Nc1nc(c(s1)C)c2ccc(cc2)Br
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

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