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Chemical ID: 5095461
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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