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Chemical ID: 3855835
Chemical ID:
3855835
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-methyl-propanamide
SMILES [?]:
CCC(=O)N(C)c1nc(cs1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C14H16N2O2S/c1-4-13(17)16(2)14-15-12(9-19-14)10-5-7-11(18-3)8-6-10/h5-9H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,6,19,2,13,17,14,16,10,12,15,9,3,7,8,5,4,18,11/E:(5,6)(7,8)/rA:19nCCCONCCNCCSCCCCCCOC/rB:s1;s2;d3;s3;s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98683 |
Area: | 469.144 |
Solvation: | -3.74176 |
Coulombic: | -28.8853 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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