[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C17H18N4O2S — CID 75501573

IUPAC[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(c4ncn[nH]4)CC3)s2)o1
InChIInChI=1S/C17H18N4O2S/c1-11-2-3-13(23-11)14-4-5-15(24-14)17(22)21-8-6-12(7-9-21)16-18-10-19-20-16/h2-5,10,12H,6-9H2,1H3,(H,18,19,20)
InChIKeyOJWYBJPMBGOYOR-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.45
Rot. Bonds3

About [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 75501573) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID75501573
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(c4ncn[nH]4)CC3)s2)o1
InChIInChI=1S/C17H18N4O2S/c1-11-2-3-13(23-11)14-4-5-15(24-14)17(22)21-8-6-12(7-9-21)16-18-10-19-20-16/h2-5,10,12H,6-9H2,1H3,(H,18,19,20)
InChIKeyOJWYBJPMBGOYOR-UHFFFAOYSA-N
XLogP3.45
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 75501573) is [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is Cc1ccc(-c2ccc(C(=O)N3CCC(c4ncn[nH]4)CC3)s2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OJWYBJPMBGOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-2-3-13(23-11)14-4-5-15(24-14)17(22)21-8-6-12(7-9-21)16-18-10-19-20-16/h2-5,10,12H,6-9H2,1H3,(H,18,19,20).
What are the key properties of [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)thiophen-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75501573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).