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

C17H11F3N4OS — CID 126499886

IUPAC2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)9-11-10-26-16(21-11)14-22-15(13-7-4-8-24(13)23-14)25-12-5-2-1-3-6-12/h1-8,10H,9H2
InChIKeyPAVWDTHNSDFRMS-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.75
Rot. Bonds4

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

2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 126499886) has the molecular formula C17H11F3N4OS and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID126499886
Molecular FormulaC17H11F3N4OS
Molecular Weight376.36 g/mol
Exact Mass376.06
IUPAC Name2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)9-11-10-26-16(21-11)14-22-15(13-7-4-8-24(13)23-14)25-12-5-2-1-3-6-12/h1-8,10H,9H2
InChIKeyPAVWDTHNSDFRMS-UHFFFAOYSA-N
XLogP4.75
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.75
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-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 126499886) is 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1csc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.
What is the InChIKey of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is PAVWDTHNSDFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS/c18-17(19,20)9-11-10-26-16(21-11)14-22-15(13-7-4-8-24(13)23-14)25-12-5-2-1-3-6-12/h1-8,10H,9H2.
What are the key properties of 2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
2-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 376.36 g/mol, XLogP of 4.75, 4 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-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 126499886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).