2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C16H9F3N4OS — CID 135262024

IUPAC2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)12-9-25-15(20-12)13-21-14(11-7-4-8-23(11)22-13)24-10-5-2-1-3-6-10/h1-9H
InChIKeyNPJPFELRHATBHS-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.66
Rot. Bonds3

About 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 135262024) has the molecular formula C16H9F3N4OS and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID135262024
Molecular FormulaC16H9F3N4OS
Molecular Weight362.34 g/mol
Exact Mass362.04
IUPAC Name2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)12-9-25-15(20-12)13-21-14(11-7-4-8-23(11)22-13)24-10-5-2-1-3-6-10/h1-9H
InChIKeyNPJPFELRHATBHS-UHFFFAOYSA-N
XLogP4.66
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 135262024) is 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.
What is the InChIKey of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NPJPFELRHATBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4OS/c17-16(18,19)12-9-25-15(20-12)13-21-14(11-7-4-8-23(11)22-13)24-10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 362.34 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 135262024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).