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

C17H17ClN4O3S2 — CID 6466367

IUPAC7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sccn12
InChIInChI=1S/C17H17ClN4O3S2/c18-13-1-3-15(4-2-13)27(24,25)21-7-5-20(6-8-21)12-14-11-16(23)22-9-10-26-17(22)19-14/h1-4,9-11H,5-8,12H2
InChIKeyWWUNUXSPVKXREG-UHFFFAOYSA-N
MW424.94 g/mol
LogP1.92
Rot. Bonds4

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

7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6466367) has the molecular formula C17H17ClN4O3S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6466367
Molecular FormulaC17H17ClN4O3S2
Molecular Weight424.94 g/mol
Exact Mass424.04
IUPAC Name7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sccn12
InChIInChI=1S/C17H17ClN4O3S2/c18-13-1-3-15(4-2-13)27(24,25)21-7-5-20(6-8-21)12-14-11-16(23)22-9-10-26-17(22)19-14/h1-4,9-11H,5-8,12H2
InChIKeyWWUNUXSPVKXREG-UHFFFAOYSA-N
XLogP1.92
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6466367) is 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WWUNUXSPVKXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S2/c18-13-1-3-15(4-2-13)27(24,25)21-7-5-20(6-8-21)12-14-11-16(23)22-9-10-26-17(22)19-14/h1-4,9-11H,5-8,12H2.
What are the key properties of 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 424.94 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6466367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).