2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one

C16H15ClN4OS — CID 133290057

IUPAC2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
SMILESCc1ncsc1CNc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C16H15ClN4OS/c1-11-14(23-10-19-11)8-18-13-7-20-21(16(22)15(13)17)9-12-5-3-2-4-6-12/h2-7,10,18H,8-9H2,1H3
InChIKeyUJAYCZMYMRHKHU-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.32
Rot. Bonds5

About 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one

2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one (PubChem CID 133290057) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
PubChem CID133290057
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
SMILESCc1ncsc1CNc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C16H15ClN4OS/c1-11-14(23-10-19-11)8-18-13-7-20-21(16(22)15(13)17)9-12-5-3-2-4-6-12/h2-7,10,18H,8-9H2,1H3
InChIKeyUJAYCZMYMRHKHU-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114437750
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
methyl N-[4-[[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]methyl]phenyl]carbamate
CID 60504808
2-benzyl-4-chloro-5-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]pyridazin-3-one
CID 133399133
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
2-benzyl-4-chloro-5-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]pyridazin-3-one
CID 55831047
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one
CID 114437744
2-benzyl-4-chloro-5-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazin-3-one
CID 133375920
2-benzyl-4-chloro-5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyridazin-3-one
CID 133385626
2-benzyl-4-chloro-5-[(2-phenyloxolan-3-yl)methylamino]pyridazin-3-one
CID 133353364
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-phenylpropanamide
CID 133310951
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one (CID 133290057) is 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one is Cc1ncsc1CNc1cnn(Cc2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
The InChIKey is UJAYCZMYMRHKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-11-14(23-10-19-11)8-18-13-7-20-21(16(22)15(13)17)9-12-5-3-2-4-6-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one?
2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one has a molecular weight of 346.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 133290057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).