Chemical ID: 6266971

Cc1c(nc(s1)NC(=O)C(C)C)c2ccc(cc2)OC
Chemical ID:
6266971
Name [?]:
N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C(C)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C15H18N2O2S/c1-9(2)14(18)17-15-16-13(10(3)20-15)11-5-7-12(19-4)8-6-11/h5-9H,1-4H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:11,12,1,20,14,18,15,17,10,2,13,16,3,8,5,4,7,9,19,6/E:(1,2)(5,6)(7,8)/rA:20nCCCNCSNCOCCCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10;s3;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.76034
Area:491.63
Solvation:-3.53042
Coulombic:-33.857
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.382
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.42
LogP (Chemaxon):3.65

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Descriptor Annotations

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