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Chemical ID: 4858143
Chemical ID:
4858143
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C12H12N2O2S/c1-8(15)13-12-14-11(7-17-12)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,11,15,12,14,8,2,10,13,7,5,4,6,3,16,9/E:(3,4)(5,6)/rA:17nCCONCNCCSCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95247 |
Area: | 428.304 |
Solvation: | -3.75512 |
Coulombic: | -32.3696 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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