1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

C15H17N3OS2 — CID 12006152

IUPAC1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)N1CCCCC1
InChIInChI=1S/C15H17N3OS2/c19-15(18-8-2-1-3-9-18)11-21-14-7-6-12(16-17-14)13-5-4-10-20-13/h4-7,10H,1-3,8-9,11H2
InChIKeyFDVGLZNJTWCMOV-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.31
Rot. Bonds4

About 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 12006152) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID12006152
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)N1CCCCC1
InChIInChI=1S/C15H17N3OS2/c19-15(18-8-2-1-3-9-18)11-21-14-7-6-12(16-17-14)13-5-4-10-20-13/h4-7,10H,1-3,8-9,11H2
InChIKeyFDVGLZNJTWCMOV-UHFFFAOYSA-N
XLogP3.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 30288651
1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 20900471
1-piperidin-1-yl-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone
CID 8699772
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 8878762
1-(azepan-1-yl)-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone
CID 1453107
1-(azetidin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 38910140
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 16858213
1-pyrrolidin-1-yl-2-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]ethanone
CID 25487733
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900460
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900462

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (CID 12006152) is 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2cccs2)nn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is FDVGLZNJTWCMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c19-15(18-8-2-1-3-9-18)11-21-14-7-6-12(16-17-14)13-5-4-10-20-13/h4-7,10H,1-3,8-9,11H2.
What are the key properties of 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 319.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 12006152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).