2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H21N5O2S — CID 52897975

IUPAC2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)n1
InChIInChI=1S/C16H21N5O2S/c1-11-5-7-20(8-6-11)13-3-4-15(23)21(19-13)9-14(22)18-16-17-12(2)10-24-16/h3-4,10-11H,5-9H2,1-2H3,(H,17,18,22)
InChIKeyWBGURLLAFCFBAK-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.88
Rot. Bonds4

About 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 52897975) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID52897975
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)n1
InChIInChI=1S/C16H21N5O2S/c1-11-5-7-20(8-6-11)13-3-4-15(23)21(19-13)9-14(22)18-16-17-12(2)10-24-16/h3-4,10-11H,5-9H2,1-2H3,(H,17,18,22)
InChIKeyWBGURLLAFCFBAK-UHFFFAOYSA-N
XLogP1.88
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 52897975) is 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)n1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WBGURLLAFCFBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-5-7-20(8-6-11)13-3-4-15(23)21(19-13)9-14(22)18-16-17-12(2)10-24-16/h3-4,10-11H,5-9H2,1-2H3,(H,17,18,22).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 52897975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).