thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C17H16N4OS2 — CID 18569380

IUPACthiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C17H16N4OS2/c22-17(15-4-2-12-24-15)21-9-7-20(8-10-21)16-6-5-13(18-19-16)14-3-1-11-23-14/h1-6,11-12H,7-10H2
InChIKeyOQNDTYVSXFXSEY-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.23
Rot. Bonds3

About thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 18569380) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID18569380
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Namethiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C17H16N4OS2/c22-17(15-4-2-12-24-15)21-9-7-20(8-10-21)16-6-5-13(18-19-16)14-3-1-11-23-14/h1-6,11-12H,7-10H2
InChIKeyOQNDTYVSXFXSEY-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-(4-Phenylphthalazin-1-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 2951813
N-{1-[3-(Thiophen-2-YL)-1H-pyrazol-5-YL]pyrrolidin-3-YL}thiophene-2-carboxamide
CID 91888108
(4-(6-(Thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 18569375
(2-Fluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 41233226
(2,6-Difluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 41233229
(4-(6-(Thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 41233258
(4-(6-(4-Fluorophenyl)pyridazin-3-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 42110663
[4-[Methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-thiophen-3-ylmethanone
CID 53609351
1-[4-[(6-Methylpyridazin-3-yl)amino]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 53616273
1-[4-[(6-Methylpyridazin-3-yl)amino]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53616537
[4-[(6-Methylpyridazin-3-yl)amino]piperidin-1-yl]-thiophen-3-ylmethanone
CID 53616603
5-[4-[(6-Methylpyridazin-3-yl)amino]piperidine-1-carbonyl]thiophene-2-carboxamide
CID 56778607

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 18569380) is thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cccs1)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is OQNDTYVSXFXSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c22-17(15-4-2-12-24-15)21-9-7-20(8-10-21)16-6-5-13(18-19-16)14-3-1-11-23-14/h1-6,11-12H,7-10H2.
What are the key properties of thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 356.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18569380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).