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

C17H24N4O2S — CID 95779097

IUPAC6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one
SMILESCc1csc([C@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)n1
InChIInChI=1S/C17H24N4O2S/c1-11(2)21-15(22)7-6-14(19-21)17(23)20-8-4-5-13(9-20)16-18-12(3)10-24-16/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyNNXOOVUZIFYVAF-ZDUSSCGKSA-N
MW348.47 g/mol
LogP2.54
Rot. Bonds3

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

6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one (PubChem CID 95779097) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one
PubChem CID95779097
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one
SMILESCc1csc([C@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)n1
InChIInChI=1S/C17H24N4O2S/c1-11(2)21-15(22)7-6-14(19-21)17(23)20-8-4-5-13(9-20)16-18-12(3)10-24-16/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyNNXOOVUZIFYVAF-ZDUSSCGKSA-N
XLogP2.54
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
(2S)-2-(4-methoxyphenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95779114
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779103
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119873380
3-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-5-nitrobenzoic acid
CID 119183712
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136
(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95778865

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one (CID 95779097) is 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one is Cc1csc([C@H]2CCCN(C(=O)C3=NN(C(C)C)C(=O)CC3)C2)n1.
What is the InChIKey of 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one?
The InChIKey is NNXOOVUZIFYVAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11(2)21-15(22)7-6-14(19-21)17(23)20-8-4-5-13(9-20)16-18-12(3)10-24-16/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one?
6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one has a molecular weight of 348.47 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propan-2-yl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 95779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).