3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine

C20H15FN4S — CID 2216369

IUPAC3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1
InChIInChI=1S/C20H15FN4S/c21-18-11-5-4-7-16(18)14-26-20-24-23-19(15-8-6-12-22-13-15)25(20)17-9-2-1-3-10-17/h1-13H,14H2
InChIKeyTZRDKQSYRCCILL-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.76
Rot. Bonds5

About 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine

3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 2216369) has the molecular formula C20H15FN4S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
PubChem CID2216369
Molecular FormulaC20H15FN4S
Molecular Weight362.43 g/mol
Exact Mass362.10
IUPAC Name3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1
InChIInChI=1S/C20H15FN4S/c21-18-11-5-4-7-16(18)14-26-20-24-23-19(15-8-6-12-22-13-15)25(20)17-9-2-1-3-10-17/h1-13H,14H2
InChIKeyTZRDKQSYRCCILL-UHFFFAOYSA-N
XLogP4.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-3-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 126111948
3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 1156631
4-[5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 1272969
3-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole
CID 6957225
(1S)-1-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 25347181
3-[(2-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841245
3-[(2,4-difluorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 7207040
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
CID 3164590
3-[(2,5-difluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922171
N-(naphthalen-1-ylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112816203
3-[4-(5-chloro-2-methylphenyl)-5-[(2,5-difluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 42793963
N-[(4-fluorophenyl)methyl]-2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 83288472

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (CID 2216369) is 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is Fc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1.
What is the InChIKey of 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is TZRDKQSYRCCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4S/c21-18-11-5-4-7-16(18)14-26-20-24-23-19(15-8-6-12-22-13-15)25(20)17-9-2-1-3-10-17/h1-13H,14H2.
What are the key properties of 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine?
3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 362.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 2216369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).