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

C18H20N4OS — CID 2653896

IUPAC7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3ccccc3)CC2)nc2sccn12
InChIInChI=1S/C18H20N4OS/c23-17-12-16(19-18-22(17)10-11-24-18)14-21-8-6-20(7-9-21)13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2
InChIKeyFPWSCBCUDQUHKD-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.07
Rot. Bonds4

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

7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2653896) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2653896
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3ccccc3)CC2)nc2sccn12
InChIInChI=1S/C18H20N4OS/c23-17-12-16(19-18-22(17)10-11-24-18)14-21-8-6-20(7-9-21)13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2
InChIKeyFPWSCBCUDQUHKD-UHFFFAOYSA-N
XLogP2.07
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2653896) is 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(Cc3ccccc3)CC2)nc2sccn12.
What is the InChIKey of 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FPWSCBCUDQUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-17-12-16(19-18-22(17)10-11-24-18)14-21-8-6-20(7-9-21)13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2.
What are the key properties of 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 340.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-benzylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2653896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).