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Chemical ID: 5187272
Chemical ID:
5187272
Name [?]:
2-methoxy-N-[4-(4-propoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)COC
InChi [?]:
InChI=1/C15H18N2O3S/c1-3-8-20-12-6-4-11(5-7-12)13-10-21-15(16-13)17-14(18)9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,2,7,9,6,10,3,19,12,8,5,11,17,14,15,16,18,20,4,13/E:(4,5)(6,7)/rA:21nCCCOCCCCCCCCSCNNCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.32185 |
Area: | 530.025 |
Solvation: | -5.92876 |
Coulombic: | -41.2658 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.29 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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