N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide

C13H16N6O3S — CID 52900930

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)s1
InChIInChI=1S/C13H16N6O3S/c1-9-15-16-13(23-9)14-11(20)8-19-12(21)3-2-10(17-19)18-4-6-22-7-5-18/h2-3H,4-8H2,1H3,(H,14,16,20)
InChIKeyHQZKFMUTUHLCBI-UHFFFAOYSA-N
MW336.38 g/mol
LogP-0.12
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 52900930) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID52900930
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)s1
InChIInChI=1S/C13H16N6O3S/c1-9-15-16-13(23-9)14-11(20)8-19-12(21)3-2-10(17-19)18-4-6-22-7-5-18/h2-3H,4-8H2,1H3,(H,14,16,20)
InChIKeyHQZKFMUTUHLCBI-UHFFFAOYSA-N
XLogP-0.12
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 52901513
N-cyclohexyl-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 51054544
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56723836
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
N-(3,3-diphenylpropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 52898033
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53023524
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52901373
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22195848

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide (CID 52900930) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide is Cc1nnc(NC(=O)Cn2nc(N3CCOCC3)ccc2=O)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is HQZKFMUTUHLCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c1-9-15-16-13(23-9)14-11(20)8-19-12(21)3-2-10(17-19)18-4-6-22-7-5-18/h2-3H,4-8H2,1H3,(H,14,16,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 336.38 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 52900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).