2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C22H23N5O3S — CID 86890347

IUPAC2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C22H23N5O3S/c28-19(25-9-6-16(7-10-25)26-11-8-23-21(26)30)18-13-24-22-27(20(18)29)14-17(31-22)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,30)
InChIKeyUVRWZWPXPWRQNI-UHFFFAOYSA-N
MW437.53 g/mol
LogP1.98
Rot. Bonds4

About 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86890347) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86890347
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C22H23N5O3S/c28-19(25-9-6-16(7-10-25)26-11-8-23-21(26)30)18-13-24-22-27(20(18)29)14-17(31-22)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,30)
InChIKeyUVRWZWPXPWRQNI-UHFFFAOYSA-N
XLogP1.98
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86890347) is 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(Cc3ccccc3)cn2c1=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UVRWZWPXPWRQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c28-19(25-9-6-16(7-10-25)26-11-8-23-21(26)30)18-13-24-22-27(20(18)29)14-17(31-22)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,30).
What are the key properties of 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 437.53 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86890347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).