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

C19H15FN4S — CID 27373078

IUPAC2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1
InChIInChI=1S/C19H15FN4S/c1-12-6-8-14(9-7-12)17-11-25-19(21-17)18-13(2)24(23-22-18)16-5-3-4-15(20)10-16/h3-11H,1-2H3
InChIKeyMOVVVLJCEFATAS-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.81
Rot. Bonds3

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

2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 27373078) 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-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID27373078
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC Name2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1
InChIInChI=1S/C19H15FN4S/c1-12-6-8-14(9-7-12)17-11-25-19(21-17)18-13(2)24(23-22-18)16-5-3-4-15(20)10-16/h3-11H,1-2H3
InChIKeyMOVVVLJCEFATAS-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-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole (CID 27373078) is 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is MOVVVLJCEFATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c1-12-6-8-14(9-7-12)17-11-25-19(21-17)18-13(2)24(23-22-18)16-5-3-4-15(20)10-16/h3-11H,1-2H3.
What are the key properties of 2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
2-[1-(3-fluorophenyl)-5-methyltriazol-4-yl]-4-(4-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-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 27373078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).