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

C21H19FN6OS — CID 69092145

IUPAC4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine
SMILESFc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1
InChIInChI=1S/C21H19FN6OS/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27/h1-7,12-13H,8-11,14H2
InChIKeyRGDZJQNGPDVYTD-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.49
Rot. Bonds5

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

4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine (PubChem CID 69092145) has the molecular formula C21H19FN6OS and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine
PubChem CID69092145
Molecular FormulaC21H19FN6OS
Molecular Weight422.49 g/mol
Exact Mass422.13
IUPAC Name4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine
SMILESFc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1
InChIInChI=1S/C21H19FN6OS/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27/h1-7,12-13H,8-11,14H2
InChIKeyRGDZJQNGPDVYTD-UHFFFAOYSA-N
XLogP3.49
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine (CID 69092145) is 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine is Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1.
What is the InChIKey of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?
The InChIKey is RGDZJQNGPDVYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6OS/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27/h1-7,12-13H,8-11,14H2.
What are the key properties of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?
4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine has a molecular weight of 422.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine is sourced from PubChem (CID 69092145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).