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Chemical ID: 4152626
Chemical ID:
4152626
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)C
InChi [?]:
InChI=1/C15H18N2OS/c1-4-5-13(18)16-15-17-14(11(3)19-15)12-8-6-10(2)7-9-12/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,12,2,3,15,17,14,18,16,10,13,4,9,7,6,8,5,11/E:(6,7)(8,9)/rA:19nCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s9;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82873 |
Area: | 481.14 |
Solvation: | -2.19977 |
Coulombic: | -27.2416 |
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: | 3.22 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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