Chemical ID: 4122185

CCc1ccc(cc1)c2c(sc(n2)N)CC(=O)O
Chemical ID:
4122185
Name [?]:
2-[2-amino-4-(4-ethylphenyl)-thiazol-5-yl]acetic acid
SMILES [?]:
CCc1ccc(cc1)c2c(sc(n2)N)CC(=O)O
InChi [?]:
InChI=1/C13H14N2O2S/c1-2-8-3-5-9(6-4-8)12-10(7-11(16)17)18-13(14)15-12/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,15,3,6,10,16,9,12,14,13,17,18,11/E:(3,4)(5,6)(16,17)/rA:18nCCCCCCCCCCSCNNCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s10;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.62978
Area:443.165
Solvation:-2.44936
Coulombic:-48.9842
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.329
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.99
LogP (Chemaxon):2.3

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