5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C19H19N3O2S — CID 97270662

IUPAC5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESC[C@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)nc3sccn23)C1
InChIInChI=1S/C19H19N3O2S/c1-19(14-6-3-2-4-7-14)8-5-9-21(13-19)17(24)15-12-16(23)20-18-22(15)10-11-25-18/h2-4,6-7,10-12H,5,8-9,13H2,1H3/t19-/m0/s1
InChIKeyTVRZBFQQDUZDCY-IBGZPJMESA-N
MW353.45 g/mol
LogP2.95
Rot. Bonds2

About 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 97270662) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID97270662
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESC[C@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)nc3sccn23)C1
InChIInChI=1S/C19H19N3O2S/c1-19(14-6-3-2-4-7-14)8-5-9-21(13-19)17(24)15-12-16(23)20-18-22(15)10-11-25-18/h2-4,6-7,10-12H,5,8-9,13H2,1H3/t19-/m0/s1
InChIKeyTVRZBFQQDUZDCY-IBGZPJMESA-N
XLogP2.95
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one with MolForge

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Related Compounds

(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97285272
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
2-methyl-6-(3-methyl-3-phenylpiperidine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 72894036
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 97270662) is 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)nc3sccn23)C1.
What is the InChIKey of 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is TVRZBFQQDUZDCY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-19(14-6-3-2-4-7-14)8-5-9-21(13-19)17(24)15-12-16(23)20-18-22(15)10-11-25-18/h2-4,6-7,10-12H,5,8-9,13H2,1H3/t19-/m0/s1.
What are the key properties of 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 353.45 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 97270662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).