2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole

C10H11F3N4S — CID 72927902

IUPAC2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2sc(C)nc2C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4S/c1-5-8(18-7(3)14-5)9-15-6(2)16-17(9)4-10(11,12)13/h4H2,1-3H3
InChIKeyAZEQXTHFFMAUJG-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.89
Rot. Bonds2

About 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole

2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 72927902) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID72927902
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2sc(C)nc2C)n(CC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4S/c1-5-8(18-7(3)14-5)9-15-6(2)16-17(9)4-10(11,12)13/h4H2,1-3H3
InChIKeyAZEQXTHFFMAUJG-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 72927902) is 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole is Cc1nc(-c2sc(C)nc2C)n(CC(F)(F)F)n1.
What is the InChIKey of 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is AZEQXTHFFMAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-5-8(18-7(3)14-5)9-15-6(2)16-17(9)4-10(11,12)13/h4H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 276.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 72927902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).