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

C20H28N4OS — CID 126862567

IUPAC6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C20H28N4OS/c1-20(2,3)17-7-8-18(25)24(22-17)13-14-9-11-23(12-10-14)19-21-15-5-4-6-16(15)26-19/h7-8,14H,4-6,9-13H2,1-3H3
InChIKeyOQSGZUFHZBLLOI-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.40
Rot. Bonds3

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

6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862567) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862567
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C20H28N4OS/c1-20(2,3)17-7-8-18(25)24(22-17)13-14-9-11-23(12-10-14)19-21-15-5-4-6-16(15)26-19/h7-8,14H,4-6,9-13H2,1-3H3
InChIKeyOQSGZUFHZBLLOI-UHFFFAOYSA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-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
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-(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-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(1H-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one
CID 126863328
4-[(3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126863908
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126864082
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126864169
6-Methyl-2-{[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126864170

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862567) is 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(c3nc4c(s3)CCC4)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is OQSGZUFHZBLLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-20(2,3)17-7-8-18(25)24(22-17)13-14-9-11-23(12-10-14)19-21-15-5-4-6-16(15)26-19/h7-8,14H,4-6,9-13H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 372.54 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).