2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole

C19H15FN4S — CID 53337595

IUPAC2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1csc(-c2nnn(-c3cccc(F)c3)c2C)n1
InChIInChI=1S/C19H15FN4S/c1-12-6-3-4-9-16(12)17-11-25-19(21-17)18-13(2)24(23-22-18)15-8-5-7-14(20)10-15/h3-11H,1-2H3
InChIKeyWFINWXRNVJLDLW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.81
Rot. Bonds3

About 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole

2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole (PubChem CID 53337595) has the molecular formula C19H15FN4S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole
PubChem CID53337595
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC Name2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1csc(-c2nnn(-c3cccc(F)c3)c2C)n1
InChIInChI=1S/C19H15FN4S/c1-12-6-3-4-9-16(12)17-11-25-19(21-17)18-13(2)24(23-22-18)15-8-5-7-14(20)10-15/h3-11H,1-2H3
InChIKeyWFINWXRNVJLDLW-UHFFFAOYSA-N
XLogP4.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole (CID 53337595) is 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole is Cc1ccccc1-c1csc(-c2nnn(-c3cccc(F)c3)c2C)n1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole?
The InChIKey is WFINWXRNVJLDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c1-12-6-3-4-9-16(12)17-11-25-19(21-17)18-13(2)24(23-22-18)15-8-5-7-14(20)10-15/h3-11H,1-2H3.
What are the key properties of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole?
2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole has a molecular weight of 350.42 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 53337595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).