Chemical ID: 4152625

CCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)C
Chemical ID:
4152625
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)C
InChi [?]:
InChI=1/C14H16N2OS/c1-4-12(17)15-14-16-13(10(3)18-14)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,11,2,14,16,13,17,15,9,12,3,8,6,5,7,4,10/E:(5,6)(7,8)/rA:18nCCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.17154
Area:456.631
Solvation:-2.24424
Coulombic:-26.8515
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.356
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.65
LogP (Chemaxon):3.81

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