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

C19H20N4O3S2 — CID 2551780

IUPAC7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2sccn12
InChIInChI=1S/C19H20N4O3S2/c24-18-14-17(20-19-23(18)11-12-27-19)15-21-7-9-22(10-8-21)28(25,26)13-6-16-4-2-1-3-5-16/h1-6,11-14H,7-10,15H2/b13-6+
InChIKeyOUZPKLRPTYGECK-AWNIVKPZSA-N
MW416.53 g/mol
LogP1.87
Rot. Bonds5

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

7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2551780) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2551780
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2sccn12
InChIInChI=1S/C19H20N4O3S2/c24-18-14-17(20-19-23(18)11-12-27-19)15-21-7-9-22(10-8-21)28(25,26)13-6-16-4-2-1-3-5-16/h1-6,11-14H,7-10,15H2/b13-6+
InChIKeyOUZPKLRPTYGECK-AWNIVKPZSA-N
XLogP1.87
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2551780) is 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OUZPKLRPTYGECK-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c24-18-14-17(20-19-23(18)11-12-27-19)15-21-7-9-22(10-8-21)28(25,26)13-6-16-4-2-1-3-5-16/h1-6,11-14H,7-10,15H2/b13-6+.
What are the key properties of 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 416.53 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2551780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).