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Chemical ID: 4729774
Chemical ID:
4729774
Name [?]:
5-bromo-4-tert-butyl-thiazol-2-amine
SMILES [?]:
CC(C)(C)c1c(sc(n1)N)Br
InChi [?]:
InChI=1/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,5,6,8,2,11,10,9,7/E:(1,2,3)/rA:11nCCCCCCSCNNBr/rB:s1;s2;s2;s2;d5;s6;s7;s5d8;s8;s6;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11BrN2S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74391 |
Area: | 334.472 |
Solvation: | -0.617881 |
Coulombic: | -23.6041 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 235.146 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.5 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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