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

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Related Compounds

5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine
CID 170148129
5-[5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148134
3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline
CID 141120013
5-[7-(trifluoromethyl)-1H-indol-2-yl]pyridin-2-amine
CID 115113639
5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine
CID 115113640
8-(trifluoromethyl)isoquinolin-3-amine
CID 71742569
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
CID 24760510
4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-8-(trifluoromethyl)quinoline-3-carboxamide
CID 68879526
N-[[5-[3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-2H-triazol-4-yl]methyl]methanimine
CID 170147384
5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine
CID 170148093
11-phenyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 13499684
[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 172650610

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).