3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one

C15H17N3O3S — CID 13470788

IUPAC3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one
SMILESCOCCn1c(=O)sc2ccc(C3=NNC(=O)CC3C)cc21
InChIInChI=1S/C15H17N3O3S/c1-9-7-13(19)16-17-14(9)10-3-4-12-11(8-10)18(5-6-21-2)15(20)22-12/h3-4,8-9H,5-7H2,1-2H3,(H,16,19)
InChIKeyJSMOSXWELRJKPA-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.57
Rot. Bonds4

About 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one

3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one (PubChem CID 13470788) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one
PubChem CID13470788
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one
SMILESCOCCn1c(=O)sc2ccc(C3=NNC(=O)CC3C)cc21
InChIInChI=1S/C15H17N3O3S/c1-9-7-13(19)16-17-14(9)10-3-4-12-11(8-10)18(5-6-21-2)15(20)22-12/h3-4,8-9H,5-7H2,1-2H3,(H,16,19)
InChIKeyJSMOSXWELRJKPA-UHFFFAOYSA-N
XLogP1.57
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one (CID 13470788) is 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one is COCCn1c(=O)sc2ccc(C3=NNC(=O)CC3C)cc21.
What is the InChIKey of 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one?
The InChIKey is JSMOSXWELRJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-7-13(19)16-17-14(9)10-3-4-12-11(8-10)18(5-6-21-2)15(20)22-12/h3-4,8-9H,5-7H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one?
3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one has a molecular weight of 319.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 13470788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).