7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H21N3OS — CID 2556517

IUPAC7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCC(Cc3ccccc3)CC2)nc2sccn12
InChIInChI=1S/C19H21N3OS/c23-18-13-17(20-19-22(18)10-11-24-19)14-21-8-6-16(7-9-21)12-15-4-2-1-3-5-15/h1-5,10-11,13,16H,6-9,12,14H2
InChIKeyCCYVLKSISMVUMT-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.21
Rot. Bonds4

About 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2556517) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2556517
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCC(Cc3ccccc3)CC2)nc2sccn12
InChIInChI=1S/C19H21N3OS/c23-18-13-17(20-19-22(18)10-11-24-19)14-21-8-6-16(7-9-21)12-15-4-2-1-3-5-15/h1-5,10-11,13,16H,6-9,12,14H2
InChIKeyCCYVLKSISMVUMT-UHFFFAOYSA-N
XLogP3.21
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2556517) is 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCC(Cc3ccccc3)CC2)nc2sccn12.
What is the InChIKey of 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CCYVLKSISMVUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-18-13-17(20-19-22(18)10-11-24-19)14-21-8-6-16(7-9-21)12-15-4-2-1-3-5-15/h1-5,10-11,13,16H,6-9,12,14H2.
What are the key properties of 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 339.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-benzylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2556517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).