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Chemical ID: 6266971
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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