2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one

C18H24N4OS — CID 126927059

IUPAC2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(Cc3csc(C4CCCC4)n3)C2)n1
InChIInChI=1S/C18H24N4OS/c1-13-6-7-17(23)22(20-13)10-14-8-21(9-14)11-16-12-24-18(19-16)15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3
InChIKeySJFXFXDWVCHQAJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds5

About 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one

2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126927059) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126927059
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(Cc3csc(C4CCCC4)n3)C2)n1
InChIInChI=1S/C18H24N4OS/c1-13-6-7-17(23)22(20-13)10-14-8-21(9-14)11-16-12-24-18(19-16)15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3
InChIKeySJFXFXDWVCHQAJ-UHFFFAOYSA-N
XLogP2.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927350
2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928684
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-cyclopropyl-2-[[1-[(6-methylpyrazin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927414
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928620
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927480
6-methyl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927097
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 122101002
6-methyl-2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927103
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one (CID 126927059) is 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CN(Cc3csc(C4CCCC4)n3)C2)n1.
What is the InChIKey of 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is SJFXFXDWVCHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-6-7-17(23)22(20-13)10-14-8-21(9-14)11-16-12-24-18(19-16)15-4-2-3-5-15/h6-7,12,14-15H,2-5,8-11H2,1H3.
What are the key properties of 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 344.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126927059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).