2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C22H21N5O2S — CID 86891881

IUPAC2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCCC(n2cccn2)C1
InChIInChI=1S/C22H21N5O2S/c28-20(25-10-4-8-17(14-25)27-11-5-9-24-27)19-13-23-22-26(21(19)29)15-18(30-22)12-16-6-2-1-3-7-16/h1-3,5-7,9,11,13,15,17H,4,8,10,12,14H2
InChIKeyCRWZUTZNPZGPDM-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.02
Rot. Bonds4

About 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86891881) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86891881
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCCC(n2cccn2)C1
InChIInChI=1S/C22H21N5O2S/c28-20(25-10-4-8-17(14-25)27-11-5-9-24-27)19-13-23-22-26(21(19)29)15-18(30-22)12-16-6-2-1-3-7-16/h1-3,5-7,9,11,13,15,17H,4,8,10,12,14H2
InChIKeyCRWZUTZNPZGPDM-UHFFFAOYSA-N
XLogP3.02
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86891951
2-benzyl-6-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86892256
2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86890347
2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86892651
2-benzyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86891970
2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86966455
2-benzyl-6-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86895841
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 129369690
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86905640

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86891881) is 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCCC(n2cccn2)C1.
What is the InChIKey of 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CRWZUTZNPZGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c28-20(25-10-4-8-17(14-25)27-11-5-9-24-27)19-13-23-22-26(21(19)29)15-18(30-22)12-16-6-2-1-3-7-16/h1-3,5-7,9,11,13,15,17H,4,8,10,12,14H2.
What are the key properties of 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 419.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86891881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).