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

C21H20N4O3S2 — CID 2467162

IUPAC7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2sccn12
InChIInChI=1S/C21H20N4O3S2/c26-20-14-18(22-21-25(20)11-12-29-21)15-23-7-9-24(10-8-23)30(27,28)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,11-14H,7-10,15H2
InChIKeyKPYKHZOYHMRLMH-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.42
Rot. Bonds4

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

7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2467162) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2467162
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC Name7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2sccn12
InChIInChI=1S/C21H20N4O3S2/c26-20-14-18(22-21-25(20)11-12-29-21)15-23-7-9-24(10-8-23)30(27,28)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,11-14H,7-10,15H2
InChIKeyKPYKHZOYHMRLMH-UHFFFAOYSA-N
XLogP2.42
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2467162) is 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2sccn12.
What is the InChIKey of 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KPYKHZOYHMRLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c26-20-14-18(22-21-25(20)11-12-29-21)15-23-7-9-24(10-8-23)30(27,28)19-6-5-16-3-1-2-4-17(16)13-19/h1-6,11-14H,7-10,15H2.
What are the key properties of 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 440.55 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).