2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

C17H18N4OS2 — CID 75527421

IUPAC2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C17H18N4OS2/c22-17(10-13-3-9-23-12-13)21-6-4-20(5-7-21)16-11-14(18-19-16)15-2-1-8-24-15/h1-3,8-9,11-12H,4-7,10H2,(H,18,19)
InChIKeyTVPQPADWXWREOA-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.09
Rot. Bonds4

About 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 75527421) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
PubChem CID75527421
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C17H18N4OS2/c22-17(10-13-3-9-23-12-13)21-6-4-20(5-7-21)16-11-14(18-19-16)15-2-1-8-24-15/h1-3,8-9,11-12H,4-7,10H2,(H,18,19)
InChIKeyTVPQPADWXWREOA-UHFFFAOYSA-N
XLogP3.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone (CID 75527421) is 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone is O=C(Cc1ccsc1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The InChIKey is TVPQPADWXWREOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c22-17(10-13-3-9-23-12-13)21-6-4-20(5-7-21)16-11-14(18-19-16)15-2-1-8-24-15/h1-3,8-9,11-12H,4-7,10H2,(H,18,19).
What are the key properties of 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 358.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75527421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).