Chemical ID: 5453628

Cc1ccc(cc1C)c2c(sc(n2)C)c3ccccc3
Chemical ID:
5453628
Name [?]:
4-(3,4-dimethylphenyl)-2-methyl-5-phenyl-thiazole
SMILES [?]:
Cc1ccc(cc1C)c2c(sc(n2)C)c3ccccc3
InChi [?]:
InChI=1/C18H17NS/c1-12-9-10-16(11-13(12)2)17-18(20-14(3)19-17)15-7-5-4-6-8-15/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,14,18,17,19,16,20,3,4,6,2,7,12,15,5,9,10,13,11/E:(5,6)(7,8)/rA:20nCCCCCCCCCCSCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s10;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.7202
Area:474.539
Solvation:-1.14323
Coulombic:-9.05228
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.4
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.12
LogP (Chemaxon):5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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