2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one

C19H25N5O3S — CID 129325104

IUPAC2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESCc1nc(C)c(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)s1
InChIInChI=1S/C19H25N5O3S/c1-13-18(28-14(2)21-13)19(26)23-5-3-4-15(12-23)24-17(25)10-16(11-20-24)22-6-8-27-9-7-22/h10-11,15H,3-9,12H2,1-2H3/t15-/m1/s1
InChIKeyWEHZOMNQPCVWIV-OAHLLOKOSA-N
MW403.51 g/mol
LogP1.63
Rot. Bonds3

About 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one

2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 129325104) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID129325104
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESCc1nc(C)c(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)s1
InChIInChI=1S/C19H25N5O3S/c1-13-18(28-14(2)21-13)19(26)23-5-3-4-15(12-23)24-17(25)10-16(11-20-24)22-6-8-27-9-7-22/h10-11,15H,3-9,12H2,1-2H3/t15-/m1/s1
InChIKeyWEHZOMNQPCVWIV-OAHLLOKOSA-N
XLogP1.63
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324382
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
2-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128987682
2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 128971642
4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821067
2-[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129323681
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
5-(azetidin-1-yl)-2-[(3S)-1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129323859
5-(azetidin-1-yl)-2-[(3S)-1-(isoquinoline-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324152
5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324991
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699345

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (CID 129325104) is 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is Cc1nc(C)c(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)s1.
What is the InChIKey of 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is WEHZOMNQPCVWIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-13-18(28-14(2)21-13)19(26)23-5-3-4-15(12-23)24-17(25)10-16(11-20-24)22-6-8-27-9-7-22/h10-11,15H,3-9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 403.51 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 129325104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).