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

C19H22N4O4S2 — CID 42912158

IUPAC7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1
InChIInChI=1S/C19H22N4O4S2/c1-2-27-16-3-5-17(6-4-16)29(25,26)22-9-7-21(8-10-22)14-15-13-18(24)23-11-12-28-19(23)20-15/h3-6,11-13H,2,7-10,14H2,1H3
InChIKeyFRJGGCMGZZVFCY-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.66
Rot. Bonds6

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

7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42912158) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42912158
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1
InChIInChI=1S/C19H22N4O4S2/c1-2-27-16-3-5-17(6-4-16)29(25,26)22-9-7-21(8-10-22)14-15-13-18(24)23-11-12-28-19(23)20-15/h3-6,11-13H,2,7-10,14H2,1H3
InChIKeyFRJGGCMGZZVFCY-UHFFFAOYSA-N
XLogP1.66
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide
CID 55498395
N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 112798959
7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60572281
7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 45355856
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
4-tert-butyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 30463429
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
7-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2467161
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933
7-[[4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798896

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42912158) is 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1.
What is the InChIKey of 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FRJGGCMGZZVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-2-27-16-3-5-17(6-4-16)29(25,26)22-9-7-21(8-10-22)14-15-13-18(24)23-11-12-28-19(23)20-15/h3-6,11-13H,2,7-10,14H2,1H3.
What are the key properties of 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 434.54 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42912158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).