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Chemical ID: 6266986
Chemical ID:
6266986
Name [?]:
N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C15H18N2O2S/c1-4-5-13(18)16-15-17-14(10(2)20-15)11-6-8-12(19-3)9-7-11/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,20,2,3,14,18,15,17,10,13,16,4,9,7,6,8,5,19,11/E:(6,7)(8,9)/rA:20nCCCCONCNCCSCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s9;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90674 |
Area: | 497.698 |
Solvation: | -3.53572 |
Coulombic: | -33.6259 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.7 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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