7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H19N3O2S — CID 146139449

IUPAC7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CNC3(c4ccccc4)CC(O)C3)nc2s1
InChIInChI=1S/C18H19N3O2S/c1-12-11-21-16(23)7-14(20-17(21)24-12)10-19-18(8-15(22)9-18)13-5-3-2-4-6-13/h2-7,11,15,19,22H,8-10H2,1H3
InChIKeyYKAIDFMPLDACDG-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.20
Rot. Bonds4

About 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 146139449) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID146139449
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CNC3(c4ccccc4)CC(O)C3)nc2s1
InChIInChI=1S/C18H19N3O2S/c1-12-11-21-16(23)7-14(20-17(21)24-12)10-19-18(8-15(22)9-18)13-5-3-2-4-6-13/h2-7,11,15,19,22H,8-10H2,1H3
InChIKeyYKAIDFMPLDACDG-UHFFFAOYSA-N
XLogP2.20
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

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 (2R)-2-phenoxypropanoate
CID 51436225
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
CID 46339736
N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]propanamide
CID 46336458
N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092425
2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide
CID 95059118
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
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
CID 46339749
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-[[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 71983360
2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53043759

Frequently Asked Questions

What is the IUPAC name of 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 146139449) is 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CNC3(c4ccccc4)CC(O)C3)nc2s1.
What is the InChIKey of 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YKAIDFMPLDACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-11-21-16(23)7-14(20-17(21)24-12)10-19-18(8-15(22)9-18)13-5-3-2-4-6-13/h2-7,11,15,19,22H,8-10H2,1H3.
What are the key properties of 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 341.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 146139449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).