2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C14H9F6N3S2 — CID 146541039

IUPAC2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCSc1cc(C(F)(F)F)sc1-c1nc2ccc(C(F)(F)F)cn2n1
InChIInChI=1S/C14H9F6N3S2/c1-2-24-8-5-9(14(18,19)20)25-11(8)12-21-10-4-3-7(13(15,16)17)6-23(10)22-12/h3-6H,2H2,1H3
InChIKeyBUQHORIICRSACV-UHFFFAOYSA-N
MW397.37 g/mol
LogP5.61
Rot. Bonds3

About 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146541039) has the molecular formula C14H9F6N3S2 and a molecular weight of 397.37 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146541039
Molecular FormulaC14H9F6N3S2
Molecular Weight397.37 g/mol
Exact Mass397.01
IUPAC Name2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCSc1cc(C(F)(F)F)sc1-c1nc2ccc(C(F)(F)F)cn2n1
InChIInChI=1S/C14H9F6N3S2/c1-2-24-8-5-9(14(18,19)20)25-11(8)12-21-10-4-3-7(13(15,16)17)6-23(10)22-12/h3-6H,2H2,1H3
InChIKeyBUQHORIICRSACV-UHFFFAOYSA-N
XLogP5.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 146541039) is 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCSc1cc(C(F)(F)F)sc1-c1nc2ccc(C(F)(F)F)cn2n1.
What is the InChIKey of 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BUQHORIICRSACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3S2/c1-2-24-8-5-9(14(18,19)20)25-11(8)12-21-10-4-3-7(13(15,16)17)6-23(10)22-12/h3-6H,2H2,1H3.
What are the key properties of 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 397.37 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-5-(trifluoromethyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146541039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).