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Chemical ID: 5462000
Chemical ID:
5462000
Name [?]:
N-(5-benzylthiazol-2-yl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2ccccc2
InChi [?]:
InChI=1/C14H16N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,12,9,2,13,10,4,7,8,6,5,11/E:(1,2)(4,5)(6,7)/rA:18nCCCCONCNCCSCCCCCCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66295 |
Area: | 462.27 |
Solvation: | -2.89379 |
Coulombic: | -26.4634 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.77 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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