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Chemical ID: 4152625
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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