2-pyridazin-3-yl-1-thiophen-2-ylethanone

C10H8N2OS — CID 116832889

IUPAC2-pyridazin-3-yl-1-thiophen-2-ylethanone
SMILESO=C(Cc1cccnn1)c1cccs1
InChIInChI=1S/C10H8N2OS/c13-9(10-4-2-6-14-10)7-8-3-1-5-11-12-8/h1-6H,7H2
InChIKeyJXXNTESEFPBMCG-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.96
Rot. Bonds3

About 2-pyridazin-3-yl-1-thiophen-2-ylethanone

2-pyridazin-3-yl-1-thiophen-2-ylethanone (PubChem CID 116832889) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-pyridazin-3-yl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-pyridazin-3-yl-1-thiophen-2-ylethanone
PubChem CID116832889
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-pyridazin-3-yl-1-thiophen-2-ylethanone
SMILESO=C(Cc1cccnn1)c1cccs1
InChIInChI=1S/C10H8N2OS/c13-9(10-4-2-6-14-10)7-8-3-1-5-11-12-8/h1-6H,7H2
InChIKeyJXXNTESEFPBMCG-UHFFFAOYSA-N
XLogP1.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone
CID 116832942
2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
CID 58171199
1-thiophen-2-ylpropan-1-one
CID 26179
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
2-(2-pyridin-2-ylphenyl)-1-thiophen-2-ylethanone
CID 151487263
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
CID 160839324
2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
CID 126534748
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone
CID 116826252

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-1-thiophen-2-ylethanone?
The IUPAC name of 2-pyridazin-3-yl-1-thiophen-2-ylethanone (CID 116832889) is 2-pyridazin-3-yl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-pyridazin-3-yl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-pyridazin-3-yl-1-thiophen-2-ylethanone is O=C(Cc1cccnn1)c1cccs1.
What is the InChIKey of 2-pyridazin-3-yl-1-thiophen-2-ylethanone?
The InChIKey is JXXNTESEFPBMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9(10-4-2-6-14-10)7-8-3-1-5-11-12-8/h1-6H,7H2.
What are the key properties of 2-pyridazin-3-yl-1-thiophen-2-ylethanone?
2-pyridazin-3-yl-1-thiophen-2-ylethanone has a molecular weight of 204.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-1-thiophen-2-ylethanone is sourced from PubChem (CID 116832889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).