5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C15H8ClF3N4S2 — CID 2745965

IUPAC5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2csc(-c3ccc(Cl)cc3)n2)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C15H8ClF3N4S2/c1-7-11(25-14-21-13(15(17,18)19)22-23(7)14)10-6-24-12(20-10)8-2-4-9(16)5-3-8/h2-6H,1H3
InChIKeyRCFDEYPSQZJISA-UHFFFAOYSA-N
MW400.84 g/mol
LogP5.56
Rot. Bonds2

About 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 2745965) has the molecular formula C15H8ClF3N4S2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID2745965
Molecular FormulaC15H8ClF3N4S2
Molecular Weight400.84 g/mol
Exact Mass399.98
IUPAC Name5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1c(-c2csc(-c3ccc(Cl)cc3)n2)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C15H8ClF3N4S2/c1-7-11(25-14-21-13(15(17,18)19)22-23(7)14)10-6-24-12(20-10)8-2-4-9(16)5-3-8/h2-6H,1H3
InChIKeyRCFDEYPSQZJISA-UHFFFAOYSA-N
XLogP5.56
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.84
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 2745965) is 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)sc2nc(C(F)(F)F)nn12.
What is the InChIKey of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is RCFDEYPSQZJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N4S2/c1-7-11(25-14-21-13(15(17,18)19)22-23(7)14)10-6-24-12(20-10)8-2-4-9(16)5-3-8/h2-6H,1H3.
What are the key properties of 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 400.84 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 2745965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).