6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one

C15H20N4OS — CID 155798219

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCNCC3)n2)s1
InChIInChI=1S/C15H20N4OS/c1-10-15(21-11(2)17-10)13-3-4-14(20)19(18-13)9-12-5-7-16-8-6-12/h3-4,12,16H,5-9H2,1-2H3
InChIKeyYXAPDJGWGYQIQW-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.98
Rot. Bonds3

About 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one (PubChem CID 155798219) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
PubChem CID155798219
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCNCC3)n2)s1
InChIInChI=1S/C15H20N4OS/c1-10-15(21-11(2)17-10)13-3-4-14(20)19(18-13)9-12-5-7-16-8-6-12/h3-4,12,16H,5-9H2,1-2H3
InChIKeyYXAPDJGWGYQIQW-UHFFFAOYSA-N
XLogP1.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one (CID 155798219) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one is Cc1nc(C)c(-c2ccc(=O)n(CC3CCNCC3)n2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The InChIKey is YXAPDJGWGYQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-15(21-11(2)17-10)13-3-4-14(20)19(18-13)9-12-5-7-16-8-6-12/h3-4,12,16H,5-9H2,1-2H3.
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one has a molecular weight of 304.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(piperidin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 155798219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).