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

C22H27N5O4S2 — CID 45355856

IUPAC7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc2sccn12
InChIInChI=1S/C22H27N5O4S2/c28-21-15-19(23-22-27(21)10-13-32-22)17-25-6-4-24(5-7-25)16-18-2-1-3-20(14-18)33(29,30)26-8-11-31-12-9-26/h1-3,10,13-15H,4-9,11-12,16-17H2
InChIKeyUXZYEOCPUKAHSZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP1.09
Rot. Bonds6

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

7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 45355856) has the molecular formula C22H27N5O4S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID45355856
Molecular FormulaC22H27N5O4S2
Molecular Weight489.62 g/mol
Exact Mass489.15
IUPAC Name7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc2sccn12
InChIInChI=1S/C22H27N5O4S2/c28-21-15-19(23-22-27(21)10-13-32-22)17-25-6-4-24(5-7-25)16-18-2-1-3-20(14-18)33(29,30)26-8-11-31-12-9-26/h1-3,10,13-15H,4-9,11-12,16-17H2
InChIKeyUXZYEOCPUKAHSZ-UHFFFAOYSA-N
XLogP1.09
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42912158
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide
CID 55498395
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
7-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2467161
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17382749
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55531398

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 45355856) is 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UXZYEOCPUKAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S2/c28-21-15-19(23-22-27(21)10-13-32-22)17-25-6-4-24(5-7-25)16-18-2-1-3-20(14-18)33(29,30)26-8-11-31-12-9-26/h1-3,10,13-15H,4-9,11-12,16-17H2.
What are the key properties of 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 489.62 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 45355856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).