Chemical ID: 5426942

Cc1cccc(c1)Cc2cnc(s2)NC(=O)C(C)C
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

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Descriptor Annotations

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