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Chemical ID: 6177672
Chemical ID:
6177672
Name [?]:
2-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]-propanamide
SMILES [?]:
Cc1cc(c(c(c1)C)c2nnc(s2)NC(=O)C(C)C)C
InChi [?]:
InChI=1/C15H19N3OS/c1-8(2)13(19)16-15-18-17-14(20-15)12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:18,19,1,8,20,7,3,17,2,6,4,5,15,9,12,14,10,11,16,13/E:(1,2)(4,5)(6,7)(10,11)/rA:20nCCCCCCCCCNNCSNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6438 |
Area: | 488.937 |
Solvation: | -2.57963 |
Coulombic: | -25.6599 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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