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Chemical ID: 4152627
Chemical ID:
4152627
Name [?]:
2-methyl-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-propanamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C15H18N2OS/c1-9(2)14(18)17-15-16-13(11(4)19-15)12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,19,3,7,4,6,16,2,9,5,8,14,11,12,13,15,10/E:(1,2)(5,6)(7,8)/rA:19nCCCCCCCCCSCNNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s16;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74215 |
Area: | 474.635 |
Solvation: | -2.12372 |
Coulombic: | -27.5296 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.95 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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