4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one

C20H19ClN4O3S — CID 133471935

IUPAC4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCc2cccc(N3CCCS3(=O)=O)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H19ClN4O3S/c21-19-18(14-23-25(20(19)26)16-7-2-1-3-8-16)22-13-15-6-4-9-17(12-15)24-10-5-11-29(24,27)28/h1-4,6-9,12,14,22H,5,10-11,13H2
InChIKeySHRYJQDHKNIZBA-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.04
Rot. Bonds5

About 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one

4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one (PubChem CID 133471935) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
PubChem CID133471935
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCc2cccc(N3CCCS3(=O)=O)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H19ClN4O3S/c21-19-18(14-23-25(20(19)26)16-7-2-1-3-8-16)22-13-15-6-4-9-17(12-15)24-10-5-11-29(24,27)28/h1-4,6-9,12,14,22H,5,10-11,13H2
InChIKeySHRYJQDHKNIZBA-UHFFFAOYSA-N
XLogP3.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-phenyl-5-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 55830941
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133471842
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 133471803
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133471957
7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine
CID 133471893
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-methyl-3-phenylbutan-2-amine
CID 126779035
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
CID 8892435
4-chloro-2-(4-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pyridazin-3-one
CID 133286941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one (CID 133471935) is 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one is O=c1c(Cl)c(NCc2cccc(N3CCCS3(=O)=O)c2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one?
The InChIKey is SHRYJQDHKNIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c21-19-18(14-23-25(20(19)26)16-7-2-1-3-8-16)22-13-15-6-4-9-17(12-15)24-10-5-11-29(24,27)28/h1-4,6-9,12,14,22H,5,10-11,13H2.
What are the key properties of 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one has a molecular weight of 430.92 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133471935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).