2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C16H24N6OS — CID 126864009

IUPAC2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3nsc(N(C)C)n3)CC2)n1
InChIInChI=1S/C16H24N6OS/c1-12-4-5-15(23)22(18-12)10-13-6-8-21(9-7-13)11-14-17-16(20(2)3)24-19-14/h4-5,13H,6-11H2,1-3H3
InChIKeyDEBWRNCLHCSGAV-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.38
Rot. Bonds5

About 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864009) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864009
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3nsc(N(C)C)n3)CC2)n1
InChIInChI=1S/C16H24N6OS/c1-12-4-5-15(23)22(18-12)10-13-6-8-21(9-7-13)11-14-17-16(20(2)3)24-19-14/h4-5,13H,6-11H2,1-3H3
InChIKeyDEBWRNCLHCSGAV-UHFFFAOYSA-N
XLogP1.38
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864009) is 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3nsc(N(C)C)n3)CC2)n1.
What is the InChIKey of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is DEBWRNCLHCSGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-12-4-5-15(23)22(18-12)10-13-6-8-21(9-7-13)11-14-17-16(20(2)3)24-19-14/h4-5,13H,6-11H2,1-3H3.
What are the key properties of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 348.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).