Chemical ID: 4710185

Cc1c(sc(n1)c2ccccc2)c3nnc(n3C)SC
Chemical ID:
4710185
Name [?]:
4-methyl-3-(4-methyl-2-phenyl-thiazol-5-yl)-5-methylsulfanyl-1,2,4-triazole
SMILES [?]:
Cc1c(sc(n1)c2ccccc2)c3nnc(n3C)SC
InChi [?]:
InChI=1/C14H14N4S2/c1-9-11(12-16-17-14(19-3)18(12)2)20-13(15-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,20,10,9,11,8,12,2,7,3,13,5,16,6,14,15,17,19,4/E:(5,6)(7,8)/rA:20nCCCSCNCCCCCCCNNCNCSC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s3;d13;s14;d15;s13s16;s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N4S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.8348
Area:488.282
Solvation:-1.37226
Coulombic:-20.2182
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.42
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.3
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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