2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C24H22N4O3S — CID 86892651

IUPAC2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H22N4O3S/c29-21-9-5-4-8-20(21)26-10-12-27(13-11-26)22(30)19-15-25-24-28(23(19)31)16-18(32-24)14-17-6-2-1-3-7-17/h1-9,15-16,29H,10-14H2
InChIKeyKWFMBJQZRAPHRO-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.01
Rot. Bonds4

About 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86892651) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86892651
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H22N4O3S/c29-21-9-5-4-8-20(21)26-10-12-27(13-11-26)22(30)19-15-25-24-28(23(19)31)16-18(32-24)14-17-6-2-1-3-7-17/h1-9,15-16,29H,10-14H2
InChIKeyKWFMBJQZRAPHRO-UHFFFAOYSA-N
XLogP3.01
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-6-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86895841
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-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86891881
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
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-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86891970
2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86905640
2-benzyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890397
2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890165
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86892651) is 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KWFMBJQZRAPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-21-9-5-4-8-20(21)26-10-12-27(13-11-26)22(30)19-15-25-24-28(23(19)31)16-18(32-24)14-17-6-2-1-3-7-17/h1-9,15-16,29H,10-14H2.
What are the key properties of 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 446.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86892651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).