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

C22H22F2N4OS — CID 16566995

IUPAC2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C22H22F2N4OS/c23-18-5-1-16(2-6-18)21(17-3-7-19(24)8-4-17)28-12-10-27(11-13-28)15-20(29)26-22-25-9-14-30-22/h1-9,14,21H,10-13,15H2,(H,25,26,29)
InChIKeyJXKFPTJRFJIVEN-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.77
Rot. Bonds6

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

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16566995) has the molecular formula C22H22F2N4OS and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID16566995
Molecular FormulaC22H22F2N4OS
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C22H22F2N4OS/c23-18-5-1-16(2-6-18)21(17-3-7-19(24)8-4-17)28-12-10-27(11-13-28)15-20(29)26-22-25-9-14-30-22/h1-9,14,21H,10-13,15H2,(H,25,26,29)
InChIKeyJXKFPTJRFJIVEN-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 16566995) is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JXKFPTJRFJIVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4OS/c23-18-5-1-16(2-6-18)21(17-3-7-19(24)8-4-17)28-12-10-27(11-13-28)15-20(29)26-22-25-9-14-30-22/h1-9,14,21H,10-13,15H2,(H,25,26,29).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16566995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).