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

C20H26N4OS — CID 126865401

IUPAC6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C20H26N4OS/c25-20-7-6-16(15-4-5-15)22-24(20)12-14-8-10-23(11-9-14)13-19-21-17-2-1-3-18(17)26-19/h6-7,14-15H,1-5,8-13H2
InChIKeyXULYCVTZNLOVRY-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.98
Rot. Bonds5

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

6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865401) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865401
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C20H26N4OS/c25-20-7-6-16(15-4-5-15)22-24(20)12-14-8-10-23(11-9-14)13-19-21-17-2-1-3-18(17)26-19/h6-7,14-15H,1-5,8-13H2
InChIKeyXULYCVTZNLOVRY-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one
CID 166417518
Tert-butyl 4-{[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]methyl}piperidine-1-carboxylate
CID 155799281
6-tert-butyl-2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126857319
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857356
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857386
6-Tert-butyl-2-({1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126862477
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
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
6-Methyl-2-({1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126864081
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-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865401) is 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)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-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(Cc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is XULYCVTZNLOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20-7-6-16(15-4-5-15)22-24(20)12-14-8-10-23(11-9-14)13-19-21-17-2-1-3-18(17)26-19/h6-7,14-15H,1-5,8-13H2.
What are the key properties of 6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 370.52 g/mol, XLogP of 2.98, 5 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-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).