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

C19H24N4OS — CID 126865489

IUPAC6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C19H24N4OS/c24-18-7-6-15(14-4-5-14)21-23(18)12-13-8-10-22(11-9-13)19-20-16-2-1-3-17(16)25-19/h6-7,13-14H,1-5,8-12H2
InChIKeyQHWKHOXAYNAMRK-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.98
Rot. Bonds4

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

6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865489) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865489
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C19H24N4OS/c24-18-7-6-15(14-4-5-14)21-23(18)12-13-8-10-22(11-9-13)19-20-16-2-1-3-17(16)25-19/h6-7,13-14H,1-5,8-12H2
InChIKeyQHWKHOXAYNAMRK-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-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
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-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-(1H-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one
CID 126863281
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}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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-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-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865489) is 6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is QHWKHOXAYNAMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18-7-6-15(14-4-5-14)21-23(18)12-13-8-10-22(11-9-13)19-20-16-2-1-3-17(16)25-19/h6-7,13-14H,1-5,8-12H2.
What are the key properties of 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-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 356.50 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-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 126865489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).