5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one

C23H22F2N2O2S — CID 10202833

IUPAC5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2sc(=O)[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H22F2N2O2S/c24-18-5-1-15(2-6-18)21-20(30-23(29)26-21)11-14-27-12-9-17(10-13-27)22(28)16-3-7-19(25)8-4-16/h1-8,17H,9-14H2,(H,26,29)
InChIKeyKXKIFYVJBVNHFY-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.52
Rot. Bonds6

About 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one

5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one (PubChem CID 10202833) has the molecular formula C23H22F2N2O2S and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
PubChem CID10202833
Molecular FormulaC23H22F2N2O2S
Molecular Weight428.50 g/mol
Exact Mass428.14
IUPAC Name5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2sc(=O)[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H22F2N2O2S/c24-18-5-1-15(2-6-18)21-20(30-23(29)26-21)11-14-27-12-9-17(10-13-27)22(28)16-3-7-19(25)8-4-16/h1-8,17H,9-14H2,(H,26,29)
InChIKeyKXKIFYVJBVNHFY-UHFFFAOYSA-N
XLogP4.52
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one (CID 10202833) is 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one is O=C(c1ccc(F)cc1)C1CCN(CCc2sc(=O)[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is KXKIFYVJBVNHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2S/c24-18-5-1-15(2-6-18)21-20(30-23(29)26-21)11-14-27-12-9-17(10-13-27)22(28)16-3-7-19(25)8-4-16/h1-8,17H,9-14H2,(H,26,29).
What are the key properties of 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one has a molecular weight of 428.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 10202833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).