Chemical ID: 4978430

Cc1cc(c(cc1c2csc(n2)C=O)C(C)C)OC
Chemical ID:
4978430
Name [?]:
4-(5-isopropyl-4-methoxy-2-methyl-phenyl)thiazole-2-carbaldehyde
SMILES [?]:
Cc1cc(c(cc1c2csc(n2)C=O)C(C)C)OC
InChi [?]:
InChI=1/C15H17NO2S/c1-9(2)11-6-12(10(3)5-14(11)18-4)13-8-19-15(7-17)16-13/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:16,17,1,19,3,6,13,9,15,2,5,7,8,4,11,12,14,18,10/E:(1,2)/rA:19nCCCCCCCCCSCNCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;s8d11;s11;d13;s5;s15;s15;s4;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.34513
Area:472.945
Solvation:-3.47849
Coulombic:-21.5305
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.367
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.7
LogP (Chemaxon):4.43

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