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Chemical ID: 5645455
Chemical ID:
5645455
Name [?]:
N-[4-(4-ethylphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)C
InChi [?]:
InChI=1/C13H14N2OS/c1-3-10-4-6-11(7-5-10)12-8-17-13(15-12)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,4,8,5,7,10,15,3,6,9,12,14,13,16,11/E:(4,5)(6,7)/rA:17nCCCCCCCCCCSCNNCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5966 |
Area: | 440.321 |
Solvation: | -2.41143 |
Coulombic: | -26.3411 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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