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

C20H26N4OS — CID 126864942

IUPAC2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCN(Cc3nc4c(s3)CCC4)CC1)CCC2
InChIInChI=1S/C20H26N4OS/c25-20-11-15-3-1-4-16(15)22-24(20)12-14-7-9-23(10-8-14)13-19-21-17-5-2-6-18(17)26-19/h11,14H,1-10,12-13H2
InChIKeyXCNCTQCVKNCORS-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.59
Rot. Bonds4

About 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126864942) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126864942
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCN(Cc3nc4c(s3)CCC4)CC1)CCC2
InChIInChI=1S/C20H26N4OS/c25-20-11-15-3-1-4-16(15)22-24(20)12-14-7-9-23(10-8-14)13-19-21-17-5-2-6-18(17)26-19/h11,14H,1-10,12-13H2
InChIKeyXCNCTQCVKNCORS-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862478
2-({1-[(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862945
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
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-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126864941
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126865032
6-Cyclopropyl-2-({1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126865400

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126864942) is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)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-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCN(Cc3nc4c(s3)CCC4)CC1)CCC2.
What is the InChIKey of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is XCNCTQCVKNCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20-11-15-3-1-4-16(15)22-24(20)12-14-7-9-23(10-8-14)13-19-21-17-5-2-6-18(17)26-19/h11,14H,1-10,12-13H2.
What are the key properties of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 370.52 g/mol, XLogP of 2.59, 4 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-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126864942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).