Chemical ID: 5095129

CCOc1cc(c(cc1C)c2cscn2)C
Chemical ID:
5095129
Name [?]:
4-(4-ethoxy-2,5-dimethyl-phenyl)thiazole
SMILES [?]:
CCOc1cc(c(cc1C)c2cscn2)C
InChi [?]:
InChI=1/C13H15NOS/c1-4-15-13-6-9(2)11(5-10(13)3)12-7-16-8-14-12/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,10,2,8,5,12,14,6,9,7,11,4,15,3,13/rA:16nCCOCCCCCCCCCSCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s12;s13;s11d14;s6;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.18581
Area:418.43
Solvation:-2.27494
Coulombic:-13.3801
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.33
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.87
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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