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Chemical ID: 5647295
Chemical ID:
5647295
Name [?]:
N-[4-(2,5-dimethylphenyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2cc(ccc2C)C
InChi [?]:
InChI=1/C14H16N2OS/c1-4-13(17)16-14-15-12(8-18-14)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,17,2,14,15,12,9,13,16,11,8,3,6,7,5,4,10/rA:18nCCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07036 |
Area: | 454.816 |
Solvation: | -2.30005 |
Coulombic: | -26.5268 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.24 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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