7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H25N3O2S — CID 70718019

IUPAC7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3CC[C@@](O)(C4CCC4)[C@H](C)C3)nc2s1
InChIInChI=1S/C18H25N3O2S/c1-12-9-20(7-6-18(12,23)14-4-3-5-14)11-15-8-16(22)21-10-13(2)24-17(21)19-15/h8,10,12,14,23H,3-7,9,11H2,1-2H3/t12-,18+/m1/s1
InChIKeyJEQPMUVGTZQIPU-XIKOKIGWSA-N
MW347.48 g/mol
LogP2.44
Rot. Bonds3

About 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70718019) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID70718019
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3CC[C@@](O)(C4CCC4)[C@H](C)C3)nc2s1
InChIInChI=1S/C18H25N3O2S/c1-12-9-20(7-6-18(12,23)14-4-3-5-14)11-15-8-16(22)21-10-13(2)24-17(21)19-15/h8,10,12,14,23H,3-7,9,11H2,1-2H3/t12-,18+/m1/s1
InChIKeyJEQPMUVGTZQIPU-XIKOKIGWSA-N
XLogP2.44
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91840836
1-[4-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 72868869
7-[[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136585971
7-[[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70720602
2-methyl-7-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839409
2-methyl-7-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70769771
7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 146138548
2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 162636373
2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155914238
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
CID 46339736
(3R,4R)-4-cyclobutyl-3-methyl-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 72888147
7-[(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56707452

Frequently Asked Questions

What is the IUPAC name of 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 70718019) is 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CN3CC[C@@](O)(C4CCC4)[C@H](C)C3)nc2s1.
What is the InChIKey of 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JEQPMUVGTZQIPU-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12-9-20(7-6-18(12,23)14-4-3-5-14)11-15-8-16(22)21-10-13(2)24-17(21)19-15/h8,10,12,14,23H,3-7,9,11H2,1-2H3/t12-,18+/m1/s1.
What are the key properties of 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 347.48 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70718019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).