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Chemical ID: 6641642
Chemical ID:
6641642
Name [?]:
ethyl 2-(2-amino-3H-thiazol-4-yl)acetate
SMILES [?]:
CCOC(=O)Cc1csc([nH+]1)N
InChi [?]:
InChI=1/C7H10N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,8,7,4,10,12,11,5,3,9/rA:12nCCOCOCCCSCN+N/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s7d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11N2O2S+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.6488 |
Area: | 360.638 |
Solvation: | -33.6648 |
Coulombic: | -24.3236 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 187.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.43 |
LogP (Chemaxon): | 0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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