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Chemical ID: 6260995
Chemical ID:
6260995
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C13H14N2O3S/c1-8(16)14-13-15-11(7-19-13)10-5-4-9(17-2)6-12(10)18-3/h4-7H,1-3H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,19,17,12,11,14,8,2,13,10,7,15,5,4,6,3,18,16,9/rA:19nCCONCNCCSCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04318 |
Area: | 456.918 |
Solvation: | -5.37977 |
Coulombic: | -37.8384 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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