2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide

C17H23N3O2S — CID 56793934

IUPAC2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NCCCN1CCCCC1
InChIInChI=1S/C17H23N3O2S/c21-16(18-6-4-9-20-7-2-1-3-8-20)11-15-13-23-17(19-15)14-5-10-22-12-14/h5,10,12-13H,1-4,6-9,11H2,(H,18,21)
InChIKeyHHPIKVSDWJUQIQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.94
Rot. Bonds7

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

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 56793934) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID56793934
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NCCCN1CCCCC1
InChIInChI=1S/C17H23N3O2S/c21-16(18-6-4-9-20-7-2-1-3-8-20)11-15-13-23-17(19-15)14-5-10-22-12-14/h5,10,12-13H,1-4,6-9,11H2,(H,18,21)
InChIKeyHHPIKVSDWJUQIQ-UHFFFAOYSA-N
XLogP2.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide (CID 56793934) is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide is O=C(Cc1csc(-c2ccoc2)n1)NCCCN1CCCCC1.
What is the InChIKey of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is HHPIKVSDWJUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c21-16(18-6-4-9-20-7-2-1-3-8-20)11-15-13-23-17(19-15)14-5-10-22-12-14/h5,10,12-13H,1-4,6-9,11H2,(H,18,21).
What are the key properties of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 56793934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).