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Chemical ID: 6178766
Chemical ID:
6178766
Name [?]:
1-(5-methyl-2-phenyl-thiazol-4-yl)ethanone
SMILES [?]:
Cc1c(nc(s1)c2ccccc2)C(=O)C
InChi [?]:
InChI=1/C12H11NOS/c1-8(14)11-9(2)15-12(13-11)10-6-4-3-5-7-10/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:15,1,10,9,11,8,12,13,2,7,3,5,4,14,6/E:(4,5)(6,7)/rA:15nCCCNCSCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50148 |
Area: | 396.067 |
Solvation: | -1.40019 |
Coulombic: | -16.028 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.288 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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