Chemical ID: 6833434

CCOc1ccc(cc1)c2c(sc([nH+]2)N)C
Chemical ID:
6833434
Name [?]:
4-(4-ethoxyphenyl)-5-methyl-3H-thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1)c2c(sc([nH+]2)N)C
InChi [?]:
InChI=1/C12H14N2OS/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,2,6,8,5,9,11,7,4,10,13,15,14,3,12/E:(4,5)(6,7)/rA:16nCCOCCCCCCCCSCN+NC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N2OS+
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-22.279
Area:421.345
Solvation:-32.8127
Coulombic:-17.702
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.326
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.39
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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