Chemical ID: 6523221

CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
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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Descriptor Annotations

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