2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one

C15H20N4O2S — CID 95770116

IUPAC2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCCN1N=C(C(=O)N2CCCC[C@H]2c2nccs2)CCC1=O
InChIInChI=1S/C15H20N4O2S/c1-2-19-13(20)7-6-11(17-19)15(21)18-9-4-3-5-12(18)14-16-8-10-22-14/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyXLVMWCRPQARHGY-LBPRGKRZSA-N
MW320.42 g/mol
LogP2.19
Rot. Bonds3

About 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 95770116) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID95770116
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCCN1N=C(C(=O)N2CCCC[C@H]2c2nccs2)CCC1=O
InChIInChI=1S/C15H20N4O2S/c1-2-19-13(20)7-6-11(17-19)15(21)18-9-4-3-5-12(18)14-16-8-10-22-14/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyXLVMWCRPQARHGY-LBPRGKRZSA-N
XLogP2.19
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95178650
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99928980
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95776588
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 95770116) is 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is CCN1N=C(C(=O)N2CCCC[C@H]2c2nccs2)CCC1=O.
What is the InChIKey of 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is XLVMWCRPQARHGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-2-19-13(20)7-6-11(17-19)15(21)18-9-4-3-5-12(18)14-16-8-10-22-14/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1.
What are the key properties of 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 320.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 95770116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).