1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C17H12FN5OS — CID 155566150

IUPAC1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3cccs3)nn2c1
InChIInChI=1S/C17H12FN5OS/c18-11-3-1-4-12(9-11)19-17(24)20-13-6-7-15-21-16(22-23(15)10-13)14-5-2-8-25-14/h1-10H,(H2,19,20,24)
InChIKeyKZOABLXWXGBVKE-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.24
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 155566150) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID155566150
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3cccs3)nn2c1
InChIInChI=1S/C17H12FN5OS/c18-11-3-1-4-12(9-11)19-17(24)20-13-6-7-15-21-16(22-23(15)10-13)14-5-2-8-25-14/h1-10H,(H2,19,20,24)
InChIKeyKZOABLXWXGBVKE-UHFFFAOYSA-N
XLogP4.24
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 155566150) is 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is O=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3cccs3)nn2c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is KZOABLXWXGBVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c18-11-3-1-4-12(9-11)19-17(24)20-13-6-7-15-21-16(22-23(15)10-13)14-5-2-8-25-14/h1-10H,(H2,19,20,24).
What are the key properties of 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 353.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 155566150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).