2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C17H22N4OS — CID 126864169

IUPAC2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-12-5-6-16(22)21(19-12)11-13-7-9-20(10-8-13)17-18-14-3-2-4-15(14)23-17/h5-6,13H,2-4,7-11H2,1H3
InChIKeyRRITUNWWSRNYTO-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.41
Rot. Bonds3

About 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864169) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864169
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-12-5-6-16(22)21(19-12)11-13-7-9-20(10-8-13)17-18-14-3-2-4-15(14)23-17/h5-6,13H,2-4,7-11H2,1H3
InChIKeyRRITUNWWSRNYTO-UHFFFAOYSA-N
XLogP2.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943703
3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944117
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 33040937
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857356
4-[(3-tert-butyl-6-oxo-1,6-dihydropyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126862292
6-tert-butyl-2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862478
6-tert-butyl-2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126862567
6-Tert-butyl-2-{[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862568
6-Tert-butyl-2-{[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862618
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863034
2-{[1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863035
2-{[1-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863081

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864169) is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3nc4c(s3)CCC4)CC2)n1.
What is the InChIKey of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is RRITUNWWSRNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-5-6-16(22)21(19-12)11-13-7-9-20(10-8-13)17-18-14-3-2-4-15(14)23-17/h5-6,13H,2-4,7-11H2,1H3.
What are the key properties of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 330.46 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).