6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H25N3O2S — CID 24567111

IUPAC6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(CCC2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1
InChIInChI=1S/C21H25N3O2S/c1-15-2-4-16(5-3-15)6-7-17-8-10-23(11-9-17)19(25)18-14-22-21-24(20(18)26)12-13-27-21/h2-5,14,17H,6-13H2,1H3
InChIKeyGCIZUTNLHNMKOL-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.14
Rot. Bonds4

About 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 24567111) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID24567111
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(CCC2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1
InChIInChI=1S/C21H25N3O2S/c1-15-2-4-16(5-3-15)6-7-17-8-10-23(11-9-17)19(25)18-14-22-21-24(20(18)26)12-13-27-21/h2-5,14,17H,6-13H2,1H3
InChIKeyGCIZUTNLHNMKOL-UHFFFAOYSA-N
XLogP3.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

6-(4-pyridin-2-yloxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127434629
5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24515603
6-(4-hydroxy-4-methylazepane-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 107406542
3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
CID 167926365
2,2,2-trifluoro-1-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 67315412
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86977704
6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 39996236
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
N,N-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 60692166

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 24567111) is 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(CCC2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1.
What is the InChIKey of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GCIZUTNLHNMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-2-4-16(5-3-15)6-7-17-8-10-23(11-9-17)19(25)18-14-22-21-24(20(18)26)12-13-27-21/h2-5,14,17H,6-13H2,1H3.
What are the key properties of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 383.52 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 24567111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).