Chemical ID: 5095461

COc1ccc(c(c1)OC)c2cscn2
Chemical ID:
5095461
Name [?]:
4-(2,4-dimethoxyphenyl)thiazole
SMILES [?]:
COc1ccc(c(c1)OC)c2cscn2
InChi [?]:
InChI=1/C11H11NO2S/c1-13-8-3-4-9(11(5-8)14-2)10-6-15-7-12-10/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,5,8,12,14,3,6,11,7,15,2,9,13/rA:15nCOCCCCCCOCCCSCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.41098
Area:384.601
Solvation:-4.20404
Coulombic:-18.5987
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.277
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):1.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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