Chemical ID: 6641642

CCOC(=O)Cc1csc([nH+]1)N
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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