2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone

C14H16N2OS — CID 158181749

IUPAC2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone
SMILESCc1ccc(CC(=O)c2csc(C(C)C)c2)nn1
InChIInChI=1S/C14H16N2OS/c1-9(2)14-6-11(8-18-14)13(17)7-12-5-4-10(3)15-16-12/h4-6,8-9H,7H2,1-3H3
InChIKeyAVEAVEGBNCFRTD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.40
Rot. Bonds4

About 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone

2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone (PubChem CID 158181749) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone
PubChem CID158181749
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone
SMILESCc1ccc(CC(=O)c2csc(C(C)C)c2)nn1
InChIInChI=1S/C14H16N2OS/c1-9(2)14-6-11(8-18-14)13(17)7-12-5-4-10(3)15-16-12/h4-6,8-9H,7H2,1-3H3
InChIKeyAVEAVEGBNCFRTD-UHFFFAOYSA-N
XLogP3.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone (CID 158181749) is 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone is Cc1ccc(CC(=O)c2csc(C(C)C)c2)nn1.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone?
The InChIKey is AVEAVEGBNCFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9(2)14-6-11(8-18-14)13(17)7-12-5-4-10(3)15-16-12/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone?
2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridazin-3-yl)-1-(5-propan-2-ylthiophen-3-yl)ethanone is sourced from PubChem (CID 158181749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).