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Chemical ID: 4367306
Chemical ID:
4367306
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acetamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)C)C
InChi [?]:
InChI=1/C13H14N2OS/c1-8-4-6-11(7-5-8)12-9(2)17-13(15-12)14-10(3)16/h4-7H,1-3H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,7,4,6,2,9,14,5,8,11,13,12,15,10/E:(4,5)(6,7)/rA:17nCCCCCCCCCSCNNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46799 |
Area: | 430.933 |
Solvation: | -2.30534 |
Coulombic: | -26.1979 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 246.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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