6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

C18H24N4OS — CID 126864170

IUPAC6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nc4c(s3)CCCC4)CC2)n1
InChIInChI=1S/C18H24N4OS/c1-13-6-7-17(23)22(20-13)12-14-8-10-21(11-9-14)18-19-15-4-2-3-5-16(15)24-18/h6-7,14H,2-5,8-12H2,1H3
InChIKeyXSWPUJOYXXVTDY-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds3

About 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864170) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864170
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nc4c(s3)CCCC4)CC2)n1
InChIInChI=1S/C18H24N4OS/c1-13-6-7-17(23)22(20-13)12-14-8-10-21(11-9-14)18-19-15-4-2-3-5-16(15)24-18/h6-7,14H,2-5,8-12H2,1H3
InChIKeyXSWPUJOYXXVTDY-UHFFFAOYSA-N
XLogP2.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126864170) is 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3nc4c(s3)CCCC4)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is XSWPUJOYXXVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-6-7-17(23)22(20-13)12-14-8-10-21(11-9-14)18-19-15-4-2-3-5-16(15)24-18/h6-7,14H,2-5,8-12H2,1H3.
What are the key properties of 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 344.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).