2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H24N4OS — CID 126865032

IUPAC2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCN(c3nc4c(s3)CCC4)CC1)CCC2
InChIInChI=1S/C19H24N4OS/c24-18-11-14-3-1-4-15(14)21-23(18)12-13-7-9-22(10-8-13)19-20-16-5-2-6-17(16)25-19/h11,13H,1-10,12H2
InChIKeySVQSPODKIRKAPZ-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.59
Rot. Bonds3

About 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126865032) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126865032
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCN(c3nc4c(s3)CCC4)CC1)CCC2
InChIInChI=1S/C19H24N4OS/c24-18-11-14-3-1-4-15(14)21-23(18)12-13-7-9-22(10-8-13)19-20-16-5-2-6-17(16)25-19/h11,13H,1-10,12H2
InChIKeySVQSPODKIRKAPZ-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.59
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]-6,7-dihydro-5H-cyclopenta[c]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
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
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862946
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
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
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
4-({3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-2-yl}methyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126864766

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]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126865032) is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-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]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCN(c3nc4c(s3)CCC4)CC1)CCC2.
What is the InChIKey of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is SVQSPODKIRKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18-11-14-3-1-4-15(14)21-23(18)12-13-7-9-22(10-8-13)19-20-16-5-2-6-17(16)25-19/h11,13H,1-10,12H2.
What are the key properties of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 356.50 g/mol, XLogP of 2.59, 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]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126865032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).