2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide

C18H22FN3O2S — CID 58756833

IUPAC2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCc1csc(C2CCNCC2)n1
InChIInChI=1S/C18H22FN3O2S/c19-15-3-1-13(2-4-15)10-24-11-17(23)21-9-16-12-25-18(22-16)14-5-7-20-8-6-14/h1-4,12,14,20H,5-11H2,(H,21,23)
InChIKeyHLHMPJNMJGJEGN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.58
Rot. Bonds7

About 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 58756833) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID58756833
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCc1csc(C2CCNCC2)n1
InChIInChI=1S/C18H22FN3O2S/c19-15-3-1-13(2-4-15)10-24-11-17(23)21-9-16-12-25-18(22-16)14-5-7-20-8-6-14/h1-4,12,14,20H,5-11H2,(H,21,23)
InChIKeyHLHMPJNMJGJEGN-UHFFFAOYSA-N
XLogP2.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 58756833) is 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide is O=C(COCc1ccc(F)cc1)NCc1csc(C2CCNCC2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is HLHMPJNMJGJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-15-3-1-13(2-4-15)10-24-11-17(23)21-9-16-12-25-18(22-16)14-5-7-20-8-6-14/h1-4,12,14,20H,5-11H2,(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 58756833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).