Chemical ID: 4152627

Cc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)C)C
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

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Descriptor Annotations

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