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Chemical ID: 4598138
Chemical ID:
4598138
Name [?]:
N-[5-(p-tolylmethyl)thiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ncc(s1)Cc2ccc(cc2)C
InChi [?]:
InChI=1/C16H20N2OS/c1-3-4-5-15(19)18-16-17-11-14(20-16)10-13-8-6-12(2)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,16,18,15,19,13,10,17,14,11,5,8,9,7,6,12/E:(6,7)(8,9)/rA:20nCCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98729 |
Area: | 519.817 |
Solvation: | -3.00813 |
Coulombic: | -26.2215 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 288.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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