Chemical ID: 7363046

Cc1ccc(cc1C)c2c(sc(n2)c3ccccc3)C
Chemical ID:
7363046
Name [?]:
4-(3,4-dimethylphenyl)-5-methyl-2-phenyl-thiazole
SMILES [?]:
Cc1ccc(cc1C)c2c(sc(n2)c3ccccc3)C
InChi [?]:
InChI=1/C18H17NS/c1-12-9-10-16(11-13(12)2)17-14(3)20-18(19-17)15-7-5-4-6-8-15/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,17,16,18,15,19,3,4,6,2,7,10,14,5,9,12,13,11/E:(5,6)(7,8)/rA:20nCCCCCCCCCCSCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NS
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.9701
Area:483.785
Solvation:-1.12458
Coulombic:-9.54038
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):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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