2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C15H13N5O2S — CID 121100867

IUPAC2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C15H13N5O2S/c1-10(14(22)18-15-17-7-8-23-15)20-13(21)5-4-12(19-20)11-3-2-6-16-9-11/h2-10H,1H3,(H,17,18,22)
InChIKeyXRUZBCGIJCHQHO-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.96
Rot. Bonds4

About 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 121100867) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID121100867
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C15H13N5O2S/c1-10(14(22)18-15-17-7-8-23-15)20-13(21)5-4-12(19-20)11-3-2-6-16-9-11/h2-10H,1H3,(H,17,18,22)
InChIKeyXRUZBCGIJCHQHO-UHFFFAOYSA-N
XLogP1.96
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101075
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101040
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-oxothiolan-3-yl)propanamide
CID 121101028
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100920
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101013
N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100932
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101067
N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101126

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 121100867) is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)n1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XRUZBCGIJCHQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-10(14(22)18-15-17-7-8-23-15)20-13(21)5-4-12(19-20)11-3-2-6-16-9-11/h2-10H,1H3,(H,17,18,22).
What are the key properties of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 327.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 121100867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).