2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide

C15H19N3O2S — CID 16668844

IUPAC2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)14(20)16-8-9-18-13(19)7-6-11(17-18)12-5-4-10-21-12/h4-7,10H,8-9H2,1-3H3,(H,16,20)
InChIKeyUVVHNTNCTDSJPV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.13
Rot. Bonds4

About 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide (PubChem CID 16668844) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
PubChem CID16668844
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)14(20)16-8-9-18-13(19)7-6-11(17-18)12-5-4-10-21-12/h4-7,10H,8-9H2,1-3H3,(H,16,20)
InChIKeyUVVHNTNCTDSJPV-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide (CID 16668844) is 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide?
The InChIKey is UVVHNTNCTDSJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)14(20)16-8-9-18-13(19)7-6-11(17-18)12-5-4-10-21-12/h4-7,10H,8-9H2,1-3H3,(H,16,20).
What are the key properties of 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 16668844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).