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Chemical ID: 6523221
Chemical ID:
6523221
Name [?]:
ethyl 4-amino-2-oxo-3-phenyl-thiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
InChi [?]:
InChI=1/C12H12N2O3S/c1-2-17-11(15)9-10(13)14(12(16)18-9)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,12,6,7,4,9,18,8,5,10,3,11/E:(4,5)(6,7)/rA:18nCCOCOCCNCOSCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;s8;s12;d13;s14;d15;d12s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87328 |
Area: | 439.794 |
Solvation: | -2.12157 |
Coulombic: | -54.4687 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.301 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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