Chemical ID: 4717457

CC(C)(C)c1c(sc([nH+]1)N)Br
Chemical ID:
4717457
Name [?]:
5-bromo-4-tert-butyl-3H-thiazol-2-amine
SMILES [?]:
CC(C)(C)c1c(sc([nH+]1)N)Br
InChi [?]:
InChI=1/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,5,6,8,2,11,10,9,7/E:(1,2,3)/rA:11nCCCCCCSCN+NBr/rB:s1;s2;s2;s2;d5;s6;s7;s5d8;s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12BrN2S+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-22.2028
Area:334.468
Solvation:-30.5646
Coulombic:-9.89508
Bond Count [?]
All:11
Single:9
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.154
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.65
LogP (Chemaxon):3.27

Name Annotations

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Descriptor Annotations

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