2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

C20H17FN4S — CID 176556141

IUPAC2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
SMILESFC(Cc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1
InChIInChI=1S/C20H17FN4S/c21-17(15-7-2-1-3-8-15)13-19-23-24-20(18-10-4-5-11-22-18)25(19)14-16-9-6-12-26-16/h1-12,17H,13-14H2
InChIKeyHTEGZBSWPWBADR-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.70
Rot. Bonds6

About 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 176556141) has the molecular formula C20H17FN4S and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID176556141
Molecular FormulaC20H17FN4S
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
SMILESFC(Cc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1
InChIInChI=1S/C20H17FN4S/c21-17(15-7-2-1-3-8-15)13-19-23-24-20(18-10-4-5-11-22-18)25(19)14-16-9-6-12-26-16/h1-12,17H,13-14H2
InChIKeyHTEGZBSWPWBADR-UHFFFAOYSA-N
XLogP4.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (CID 176556141) is 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is FC(Cc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is HTEGZBSWPWBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4S/c21-17(15-7-2-1-3-8-15)13-19-23-24-20(18-10-4-5-11-22-18)25(19)14-16-9-6-12-26-16/h1-12,17H,13-14H2.
What are the key properties of 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?
2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 364.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-2-phenylethyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 176556141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).