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Chemical ID: 5426942
Chemical ID:
5426942
Name [?]:
2-methyl-N-[5-(m-tolylmethyl)thiazol-2-yl]-propanamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)C(C)C
InChi [?]:
InChI=1/C15H18N2OS/c1-10(2)14(18)17-15-16-9-13(19-15)8-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:18,19,1,4,3,5,7,8,10,17,2,6,9,15,12,11,14,16,13/E:(1,2)/rA:19nCCCCCCCCCCNCSNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21042 |
Area: | 483.995 |
Solvation: | -2.88947 |
Coulombic: | -26.2151 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.21 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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