6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

C17H22N4O2S — CID 95739273

IUPAC6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)ccc1=O
InChIInChI=1S/C17H22N4O2S/c1-3-9-21-15(22)8-7-13(19-21)17(23)20-10-5-4-6-14(20)16-18-12(2)11-24-16/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyHKYLEQLGFZZZIQ-CQSZACIVSA-N
MW346.46 g/mol
LogP2.79
Rot. Bonds4

About 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 95739273) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID95739273
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)ccc1=O
InChIInChI=1S/C17H22N4O2S/c1-3-9-21-15(22)8-7-13(19-21)17(23)20-10-5-4-6-14(20)16-18-12(2)11-24-16/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyHKYLEQLGFZZZIQ-CQSZACIVSA-N
XLogP2.79
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95762482
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416
6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 56822307
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
2-methyl-6-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 95762363
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
6-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 47014760
2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 94002531
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (CID 95739273) is 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)ccc1=O.
What is the InChIKey of 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is HKYLEQLGFZZZIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-9-21-15(22)8-7-13(19-21)17(23)20-10-5-4-6-14(20)16-18-12(2)11-24-16/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 346.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 95739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).