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Chemical ID: 5567910
Chemical ID:
5567910
Name [?]:
3-acetamido-N-[4-(4-methoxyphenyl)thiazol-2-yl]-propanamide
SMILES [?]:
CC(=O)NCCC(=O)Nc1nc(cs1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C15H17N3O3S/c1-10(19)16-8-7-14(20)18-15-17-13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,16,20,17,19,6,5,13,2,15,18,12,7,10,4,11,9,3,8,21,14/E:(3,4)(5,6)/rA:22nCCONCCCONCNCCSCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.184 |
Area: | 540.038 |
Solvation: | -5.31694 |
Coulombic: | -51.5196 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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