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Chemical ID: 4710185
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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