3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17N3O2S — CID 3469841

IUPAC3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCCCC1
InChIInChI=1S/C18H17N3O2S/c22-16(20-9-5-2-6-10-20)14-11-19-18-21(17(14)23)15(12-24-18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyLQVCWIWPXHNKAP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.05
Rot. Bonds2

About 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3469841) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3469841
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCCCC1
InChIInChI=1S/C18H17N3O2S/c22-16(20-9-5-2-6-10-20)14-11-19-18-21(17(14)23)15(12-24-18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyLQVCWIWPXHNKAP-UHFFFAOYSA-N
XLogP3.05
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4113165
N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4224151
6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17248655
3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 44754715
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564211
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469776
N-(2-ethylphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5076109
3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248522
N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4152249
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 82061842

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3469841) is 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCCCC1.
What is the InChIKey of 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LQVCWIWPXHNKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16(20-9-5-2-6-10-20)14-11-19-18-21(17(14)23)15(12-24-18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 339.42 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3469841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).