Chemical ID: 4978453

CCOc1ccc(cc1c2csc(n2)C=O)C(C)C
Chemical ID:
4978453
Name [?]:
4-(2-ethoxy-5-isopropyl-phenyl)thiazole-2-carbaldehyde
SMILES [?]:
CCOc1ccc(cc1c2csc(n2)C=O)C(C)C
InChi [?]:
InChI=1/C15H17NO2S/c1-4-18-14-6-5-11(10(2)3)7-12(14)13-9-19-15(8-17)16-13/h5-10H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,2,6,5,8,15,11,17,7,9,10,4,13,14,16,3,12/E:(2,3)/rA:19nCCOCCCCCCCCSCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;s13;d15;s7;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.31723
Area:477.76
Solvation:-3.62678
Coulombic:-21.2711
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.367
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):4.31

Name Annotations

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Descriptor Annotations

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