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

C20H20FN3OS — CID 118740194

IUPAC2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1ncc(CN2CCOC(c3ccc(-c4ccccc4F)cn3)C2)s1
InChIInChI=1S/C20H20FN3OS/c1-14-22-11-16(26-14)12-24-8-9-25-20(13-24)19-7-6-15(10-23-19)17-4-2-3-5-18(17)21/h2-7,10-11,20H,8-9,12-13H2,1H3
InChIKeyYMIOLRZOVDXINC-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.23
Rot. Bonds4

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

2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 118740194) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID118740194
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1ncc(CN2CCOC(c3ccc(-c4ccccc4F)cn3)C2)s1
InChIInChI=1S/C20H20FN3OS/c1-14-22-11-16(26-14)12-24-8-9-25-20(13-24)19-7-6-15(10-23-19)17-4-2-3-5-18(17)21/h2-7,10-11,20H,8-9,12-13H2,1H3
InChIKeyYMIOLRZOVDXINC-UHFFFAOYSA-N
XLogP4.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 118740194) is 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1ncc(CN2CCOC(c3ccc(-c4ccccc4F)cn3)C2)s1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is YMIOLRZOVDXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-22-11-16(26-14)12-24-8-9-25-20(13-24)19-7-6-15(10-23-19)17-4-2-3-5-18(17)21/h2-7,10-11,20H,8-9,12-13H2,1H3.
What are the key properties of 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 369.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 118740194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).