N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide

C15H17N5O3S — CID 166337363

IUPACN-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide
SMILESCc1cc(=O)c(C(=O)N2CCC[C@@H](NC(=O)c3ccns3)C2)n[nH]1
InChIInChI=1S/C15H17N5O3S/c1-9-7-11(21)13(19-18-9)15(23)20-6-2-3-10(8-20)17-14(22)12-4-5-16-24-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,22)(H,18,21)/t10-/m1/s1
InChIKeyPINSJFLYNCKWLY-SNVBAGLBSA-N
MW347.40 g/mol
LogP0.57
Rot. Bonds3

About N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide

N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide (PubChem CID 166337363) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide
PubChem CID166337363
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide
SMILESCc1cc(=O)c(C(=O)N2CCC[C@@H](NC(=O)c3ccns3)C2)n[nH]1
InChIInChI=1S/C15H17N5O3S/c1-9-7-11(21)13(19-18-9)15(23)20-6-2-3-10(8-20)17-14(22)12-4-5-16-24-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,22)(H,18,21)/t10-/m1/s1
InChIKeyPINSJFLYNCKWLY-SNVBAGLBSA-N
XLogP0.57
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide with MolForge

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Related Compounds

6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one
CID 167843423
N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
CID 155963766
ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
CID 62083190
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 167979496
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one
CID 167826254
6-methyl-4-oxo-N-[3-(thiane-4-carbonylamino)cyclobutyl]-1H-pyridazine-3-carboxamide
CID 155963747
6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 167777693
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
CID 167811798
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide (CID 166337363) is N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide is Cc1cc(=O)c(C(=O)N2CCC[C@@H](NC(=O)c3ccns3)C2)n[nH]1.
What is the InChIKey of N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide?
The InChIKey is PINSJFLYNCKWLY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-9-7-11(21)13(19-18-9)15(23)20-6-2-3-10(8-20)17-14(22)12-4-5-16-24-12/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,22)(H,18,21)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide?
N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 166337363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).