2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide

C21H20N4O2S2 — CID 166631784

IUPAC2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cncs1
InChIInChI=1S/C21H20N4O2S2/c26-19(24-20-10-22-13-29-20)11-25-7-5-14(6-8-25)21-23-16(12-28-21)18-9-15-3-1-2-4-17(15)27-18/h1-4,9-10,12-14H,5-8,11H2,(H,24,26)
InChIKeyUSNCMRYKBNCMQR-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.83
Rot. Bonds5

About 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide

2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide (PubChem CID 166631784) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide
PubChem CID166631784
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide
SMILESO=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cncs1
InChIInChI=1S/C21H20N4O2S2/c26-19(24-20-10-22-13-29-20)11-25-7-5-14(6-8-25)21-23-16(12-28-21)18-9-15-3-1-2-4-17(15)27-18/h1-4,9-10,12-14H,5-8,11H2,(H,24,26)
InChIKeyUSNCMRYKBNCMQR-UHFFFAOYSA-N
XLogP4.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide (CID 166631784) is 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide is O=C(CN1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1)Nc1cncs1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide?
The InChIKey is USNCMRYKBNCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c26-19(24-20-10-22-13-29-20)11-25-7-5-14(6-8-25)21-23-16(12-28-21)18-9-15-3-1-2-4-17(15)27-18/h1-4,9-10,12-14H,5-8,11H2,(H,24,26).
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide?
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(1,3-thiazol-5-yl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 166631784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).