2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide

C23H32FN5O3S — CID 11952844

IUPAC2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)NC2CCNCC2)n1
InChIInChI=1S/C23H32FN5O3S/c24-18-7-5-17(6-8-18)14-32-15-21(30)26-11-3-1-2-4-20-16-33-23(28-20)29-22(31)27-19-9-12-25-13-10-19/h5-8,16,19,25H,1-4,9-15H2,(H,26,30)(H2,27,28,29,31)
InChIKeyFDLCWUNEIYFNAZ-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.20
Rot. Bonds12

About 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide (PubChem CID 11952844) has the molecular formula C23H32FN5O3S and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
PubChem CID11952844
Molecular FormulaC23H32FN5O3S
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)NC2CCNCC2)n1
InChIInChI=1S/C23H32FN5O3S/c24-18-7-5-17(6-8-18)14-32-15-21(30)26-11-3-1-2-4-20-16-33-23(28-20)29-22(31)27-19-9-12-25-13-10-19/h5-8,16,19,25H,1-4,9-15H2,(H,26,30)(H2,27,28,29,31)
InChIKeyFDLCWUNEIYFNAZ-UHFFFAOYSA-N
XLogP3.20
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide (CID 11952844) is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide is O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)NC2CCNCC2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The InChIKey is FDLCWUNEIYFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O3S/c24-18-7-5-17(6-8-18)14-32-15-21(30)26-11-3-1-2-4-20-16-33-23(28-20)29-22(31)27-19-9-12-25-13-10-19/h5-8,16,19,25H,1-4,9-15H2,(H,26,30)(H2,27,28,29,31).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide has a molecular weight of 477.61 g/mol, XLogP of 3.20, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide is sourced from PubChem (CID 11952844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).