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Chemical ID: 5441593
Chemical ID:
5441593
Name [?]:
2-methyl-4-phenyl-5-propyl-thiazole
SMILES [?]:
CCCc1c(nc(s1)C)c2ccccc2
InChi [?]:
InChI=1/C13H15NS/c1-3-7-12-13(14-10(2)15-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,13,12,14,3,11,15,7,10,4,5,6,8/E:(5,6)(8,9)/rA:15nCCCCCNCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s5;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14527 |
Area: | 405.126 |
Solvation: | -0.982881 |
Coulombic: | -8.02657 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.331 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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