2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole

C17H11F2N5S — CID 69280956

IUPAC2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1
InChIInChI=1S/C17H11F2N5S/c18-12-5-6-14(21-9-12)15-22-16(17-20-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19/h1-9H,10H2
InChIKeyQCMBRGYAYXCWPA-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.79
Rot. Bonds4

About 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole

2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 69280956) has the molecular formula C17H11F2N5S and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID69280956
Molecular FormulaC17H11F2N5S
Molecular Weight355.37 g/mol
Exact Mass355.07
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1
InChIInChI=1S/C17H11F2N5S/c18-12-5-6-14(21-9-12)15-22-16(17-20-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19/h1-9H,10H2
InChIKeyQCMBRGYAYXCWPA-UHFFFAOYSA-N
XLogP3.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 69280956) is 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)nc1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is QCMBRGYAYXCWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5S/c18-12-5-6-14(21-9-12)15-22-16(17-20-7-8-25-17)24(23-15)10-11-3-1-2-4-13(11)19/h1-9H,10H2.
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole?
2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 355.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 69280956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).