2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

C20H22N6O2S — CID 126915803

IUPAC2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(C(=O)N2CCN(CCn3nc(-c4ccncc4)ccc3=O)CC2)cs1
InChIInChI=1S/C20H22N6O2S/c1-15-22-18(14-29-15)20(28)25-11-8-24(9-12-25)10-13-26-19(27)3-2-17(23-26)16-4-6-21-7-5-16/h2-7,14H,8-13H2,1H3
InChIKeyDNVVLGJBKLDGNM-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.53
Rot. Bonds5

About 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126915803) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126915803
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(C(=O)N2CCN(CCn3nc(-c4ccncc4)ccc3=O)CC2)cs1
InChIInChI=1S/C20H22N6O2S/c1-15-22-18(14-29-15)20(28)25-11-8-24(9-12-25)10-13-26-19(27)3-2-17(23-26)16-4-6-21-7-5-16/h2-7,14H,8-13H2,1H3
InChIKeyDNVVLGJBKLDGNM-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915775
2-[2-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915784
2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915791
2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929278
2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915831
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126915800
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915536
3-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942501
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 121033466
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (CID 126915803) is 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is Cc1nc(C(=O)N2CCN(CCn3nc(-c4ccncc4)ccc3=O)CC2)cs1.
What is the InChIKey of 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is DNVVLGJBKLDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-15-22-18(14-29-15)20(28)25-11-8-24(9-12-25)10-13-26-19(27)3-2-17(23-26)16-4-6-21-7-5-16/h2-7,14H,8-13H2,1H3.
What are the key properties of 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 410.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126915803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).