Chemical ID: 6178766

Cc1c(nc(s1)c2ccccc2)C(=O)C
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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