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

C24H22FN3O2S — CID 166631419

IUPAC2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C24H22FN3O2S/c25-18-5-3-6-19(13-18)26-23(29)14-28-10-8-16(9-11-28)24-27-20(15-31-24)22-12-17-4-1-2-7-21(17)30-22/h1-7,12-13,15-16H,8-11,14H2,(H,26,29)
InChIKeyISNQAGMPZYSIBP-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.51
Rot. Bonds5

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

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 166631419) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID166631419
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C24H22FN3O2S/c25-18-5-3-6-19(13-18)26-23(29)14-28-10-8-16(9-11-28)24-27-20(15-31-24)22-12-17-4-1-2-7-21(17)30-22/h1-7,12-13,15-16H,8-11,14H2,(H,26,29)
InChIKeyISNQAGMPZYSIBP-UHFFFAOYSA-N
XLogP5.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 166631419) is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is ISNQAGMPZYSIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c25-18-5-3-6-19(13-18)26-23(29)14-28-10-8-16(9-11-28)24-27-20(15-31-24)22-12-17-4-1-2-7-21(17)30-22/h1-7,12-13,15-16H,8-11,14H2,(H,26,29).
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 435.52 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 166631419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).