Chemical ID: 4978140

COc1ccc(cc1)c2csc(n2)C=O
Chemical ID:
4978140
Name [?]:
4-(4-methoxyphenyl)thiazole-2-carbaldehyde
SMILES [?]:
COc1ccc(cc1)c2csc(n2)C=O
InChi [?]:
InChI=1/C11H9NO2S/c1-14-9-4-2-8(3-5-9)10-7-15-11(6-13)12-10/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,14,10,6,3,9,12,13,15,2,11/E:(2,3)(4,5)/rA:15nCOCCCCCCCCSCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.24939
Area:394.875
Solvation:-3.62248
Coulombic:-20.964
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.261
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.07
LogP (Chemaxon):2.77

Name Annotations

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Descriptor Annotations

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