2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H15FN4O2S — CID 171999925

IUPAC2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1nccs1
InChIInChI=1S/C14H15FN4O2S/c15-11-2-1-3-13(17-11)21-10-4-6-19(8-10)9-12(20)18-14-16-5-7-22-14/h1-3,5,7,10H,4,6,8-9H2,(H,16,18,20)
InChIKeySCVHYNGEBJNWFC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.77
Rot. Bonds5

About 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 171999925) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID171999925
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1nccs1
InChIInChI=1S/C14H15FN4O2S/c15-11-2-1-3-13(17-11)21-10-4-6-19(8-10)9-12(20)18-14-16-5-7-22-14/h1-3,5,7,10H,4,6,8-9H2,(H,16,18,20)
InChIKeySCVHYNGEBJNWFC-UHFFFAOYSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
CID 171704756
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171705156
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110249388
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
CID 172904927
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 171999925) is 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1nccs1.
What is the InChIKey of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SCVHYNGEBJNWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c15-11-2-1-3-13(17-11)21-10-4-6-19(8-10)9-12(20)18-14-16-5-7-22-14/h1-3,5,7,10H,4,6,8-9H2,(H,16,18,20).
What are the key properties of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 171999925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).