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Chemical ID: 3891219
Chemical ID:
3891219
Name [?]:
N-ethyl-N-[4-(4-fluorophenyl)thiazol-2-yl]-propanamide
SMILES [?]:
CCC(=O)N(CC)c1nc(cs1)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H15FN2OS/c1-3-13(18)17(4-2)14-16-12(9-19-14)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,14,18,15,17,11,13,16,10,3,8,19,9,5,4,12/E:(5,6)(7,8)/rA:19nCCCONCCCNCCSCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s5;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15FN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92933 |
Area: | 456.085 |
Solvation: | -3.47279 |
Coulombic: | -25.4634 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.346 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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