5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine

C16H10F3N5S — CID 170148108

IUPAC5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ccc(-c2cnc3c(C(F)(F)F)cccc3c2)s1
InChIInChI=1S/C16H10F3N5S/c17-16(18,19)10-3-1-2-8-6-9(7-21-13(8)10)11-4-5-12(25-11)14-15(20)23-24-22-14/h1-7H,(H3,20,22,23,24)
InChIKeyWWSLJBIBBGHFEK-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.35
Rot. Bonds2

About 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine

5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148108) has the molecular formula C16H10F3N5S and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148108
Molecular FormulaC16H10F3N5S
Molecular Weight361.35 g/mol
Exact Mass361.06
IUPAC Name5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ccc(-c2cnc3c(C(F)(F)F)cccc3c2)s1
InChIInChI=1S/C16H10F3N5S/c17-16(18,19)10-3-1-2-8-6-9(7-21-13(8)10)11-4-5-12(25-11)14-15(20)23-24-22-14/h1-7H,(H3,20,22,23,24)
InChIKeyWWSLJBIBBGHFEK-UHFFFAOYSA-N
XLogP4.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine (CID 170148108) is 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine is Nc1n[nH]nc1-c1ccc(-c2cnc3c(C(F)(F)F)cccc3c2)s1.
What is the InChIKey of 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is WWSLJBIBBGHFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5S/c17-16(18,19)10-3-1-2-8-6-9(7-21-13(8)10)11-4-5-12(25-11)14-15(20)23-24-22-14/h1-7H,(H3,20,22,23,24).
What are the key properties of 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine?
5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 361.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).