2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H15N5O3S — CID 52901513

IUPAC2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1nccs1
InChIInChI=1S/C13H15N5O3S/c19-11(15-13-14-3-8-22-13)9-18-12(20)2-1-10(16-18)17-4-6-21-7-5-17/h1-3,8H,4-7,9H2,(H,14,15,19)
InChIKeyQWOAXSPFRLDWPY-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.18
Rot. Bonds4

About 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 52901513) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID52901513
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1nccs1
InChIInChI=1S/C13H15N5O3S/c19-11(15-13-14-3-8-22-13)9-18-12(20)2-1-10(16-18)17-4-6-21-7-5-17/h1-3,8H,4-7,9H2,(H,14,15,19)
InChIKeyQWOAXSPFRLDWPY-UHFFFAOYSA-N
XLogP0.18
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 52901513) is 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1nccs1.
What is the InChIKey of 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QWOAXSPFRLDWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c19-11(15-13-14-3-8-22-13)9-18-12(20)2-1-10(16-18)17-4-6-21-7-5-17/h1-3,8H,4-7,9H2,(H,14,15,19).
What are the key properties of 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 321.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 52901513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).