2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one

C18H19N5OS — CID 29219667

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5OS/c24-17-10-16(22-8-6-19-7-9-22)11-20-23(17)12-15-13-25-18(21-15)14-4-2-1-3-5-14/h1-5,10-11,13,19H,6-9,12H2
InChIKeyOXIUVJLDTJXHLE-UHFFFAOYSA-N
MW353.45 g/mol
LogP1.82
Rot. Bonds4

About 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one

2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one (PubChem CID 29219667) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one
PubChem CID29219667
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5OS/c24-17-10-16(22-8-6-19-7-9-22)11-20-23(17)12-15-13-25-18(21-15)14-4-2-1-3-5-14/h1-5,10-11,13,19H,6-9,12H2
InChIKeyOXIUVJLDTJXHLE-UHFFFAOYSA-N
XLogP1.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one (CID 29219667) is 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one is O=c1cc(N2CCNCC2)cnn1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is OXIUVJLDTJXHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17-10-16(22-8-6-19-7-9-22)11-20-23(17)12-15-13-25-18(21-15)14-4-2-1-3-5-14/h1-5,10-11,13,19H,6-9,12H2.
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one?
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 353.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 29219667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).