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Chemical ID: 6379421
Chemical ID:
6379421
Name [?]:
N-(4-phenylthiazol-2-yl)hexanamide
SMILES [?]:
CCCCCC(=O)Nc1nc(cs1)c2ccccc2
InChi [?]:
InChI=1/C15H18N2OS/c1-2-3-5-10-14(18)17-15-16-13(11-19-15)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,4,16,18,15,19,5,12,14,11,6,9,10,8,7,13/E:(6,7)(8,9)/rA:19nCCCCCCONCNCCSCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0869 |
Area: | 495.778 |
Solvation: | -2.30749 |
Coulombic: | -27.8973 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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