6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C16H20N4O2S — CID 95762482

IUPAC6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1csc([C@@H]2CCCCN2C(=O)Cn2nc(C)ccc2=O)n1
InChIInChI=1S/C16H20N4O2S/c1-11-6-7-14(21)20(18-11)9-15(22)19-8-4-3-5-13(19)16-17-12(2)10-23-16/h6-7,10,13H,3-5,8-9H2,1-2H3/t13-/m0/s1
InChIKeyMMFBCZYAKHEMGV-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.07
Rot. Bonds3

About 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 95762482) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID95762482
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1csc([C@@H]2CCCCN2C(=O)Cn2nc(C)ccc2=O)n1
InChIInChI=1S/C16H20N4O2S/c1-11-6-7-14(21)20(18-11)9-15(22)19-8-4-3-5-13(19)16-17-12(2)10-23-16/h6-7,10,13H,3-5,8-9H2,1-2H3/t13-/m0/s1
InChIKeyMMFBCZYAKHEMGV-ZDUSSCGKSA-N
XLogP2.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512
6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 95739273
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762466
ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
CID 70731385
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95735012
2-[benzyl(methyl)amino]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762430
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95769941

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 95762482) is 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1csc([C@@H]2CCCCN2C(=O)Cn2nc(C)ccc2=O)n1.
What is the InChIKey of 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is MMFBCZYAKHEMGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-6-7-14(21)20(18-11)9-15(22)19-8-4-3-5-13(19)16-17-12(2)10-23-16/h6-7,10,13H,3-5,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 332.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 95762482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).