4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine

C19H14FN5S — CID 59068560

IUPAC4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nnn2-c2ccccc2)n1
InChIInChI=1S/C19H14FN5S/c1-26-19-21-12-11-16(22-19)18-17(13-7-9-14(20)10-8-13)23-24-25(18)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyJRLOBDJHHMJBEK-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.25
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine

4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine (PubChem CID 59068560) has the molecular formula C19H14FN5S and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine
PubChem CID59068560
Molecular FormulaC19H14FN5S
Molecular Weight363.42 g/mol
Exact Mass363.10
IUPAC Name4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nnn2-c2ccccc2)n1
InChIInChI=1S/C19H14FN5S/c1-26-19-21-12-11-16(22-19)18-17(13-7-9-14(20)10-8-13)23-24-25(18)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyJRLOBDJHHMJBEK-UHFFFAOYSA-N
XLogP4.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[4-(4-fluorophenyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]triazol-1-yl]benzoate
CID 10117476
(5S)-5-(benzylsulfanylmethyl)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641089
[(5R)-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyloxidanium
CID 163454897
4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 143376838
5-(4-fluorophenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170069
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 11690784
4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxypyrimidine;4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methylsulfanylpyrimidine
CID 160935002
3-chloro-6-[3-(4-fluorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-1-yl]pyridazine
CID 23080608
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
4-[2-(2,6-dichlorophenyl)-3-hydroxy-5-phenylimidazol-4-yl]-2-methylsulfanylpyrimidine
CID 20829779
2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 159993594
(5S)-2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641223

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine (CID 59068560) is 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine is CSc1nccc(-c2c(-c3ccc(F)cc3)nnn2-c2ccccc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine?
The InChIKey is JRLOBDJHHMJBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5S/c1-26-19-21-12-11-16(22-19)18-17(13-7-9-14(20)10-8-13)23-24-25(18)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine?
4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine has a molecular weight of 363.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-phenyltriazol-4-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 59068560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).