2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C21H21FN4OS — CID 110249388

IUPAC2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCCC(c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1
InChIInChI=1S/C21H21FN4OS/c22-17-6-1-4-15(12-17)18-7-2-8-19(24-18)16-5-3-10-26(13-16)14-20(27)25-21-23-9-11-28-21/h1-2,4,6-9,11-12,16H,3,5,10,13-14H2,(H,23,25,27)
InChIKeyICUWFWLBVYXULY-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.16
Rot. Bonds5

About 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 110249388) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID110249388
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCCC(c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1
InChIInChI=1S/C21H21FN4OS/c22-17-6-1-4-15(12-17)18-7-2-8-19(24-18)16-5-3-10-26(13-16)14-20(27)25-21-23-9-11-28-21/h1-2,4,6-9,11-12,16H,3,5,10,13-14H2,(H,23,25,27)
InChIKeyICUWFWLBVYXULY-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95819655
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95835904
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92640621
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97212090
2-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110264604
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110249660
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 110249388) is 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCCC(c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1.
What is the InChIKey of 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ICUWFWLBVYXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-17-6-1-4-15(12-17)18-7-2-8-19(24-18)16-5-3-10-26(13-16)14-20(27)25-21-23-9-11-28-21/h1-2,4,6-9,11-12,16H,3,5,10,13-14H2,(H,23,25,27).
What are the key properties of 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110249388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).