7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H23N5O3S — CID 119037559

IUPAC7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCC(=O)NC1
InChIInChI=1S/C18H23N5O3S/c1-18(3-2-14(24)19-12-18)16(26)22-6-4-21(5-7-22)11-13-10-15(25)23-8-9-27-17(23)20-13/h8-10H,2-7,11-12H2,1H3,(H,19,24)
InChIKeyOIUKMOCUGYOWOT-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.32
Rot. Bonds3

About 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 119037559) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID119037559
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCC(=O)NC1
InChIInChI=1S/C18H23N5O3S/c1-18(3-2-14(24)19-12-18)16(26)22-6-4-21(5-7-22)11-13-10-15(25)23-8-9-27-17(23)20-13/h8-10H,2-7,11-12H2,1H3,(H,19,24)
InChIKeyOIUKMOCUGYOWOT-UHFFFAOYSA-N
XLogP0.32
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656375
7-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 115874148
7-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920591
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46666805
7-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51257557
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920
N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide
CID 55498395
7-[[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51313958
4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]benzonitrile
CID 46656447
7-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55440289

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 119037559) is 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCC(=O)NC1.
What is the InChIKey of 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OIUKMOCUGYOWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-18(3-2-14(24)19-12-18)16(26)22-6-4-21(5-7-22)11-13-10-15(25)23-8-9-27-17(23)20-13/h8-10H,2-7,11-12H2,1H3,(H,19,24).
What are the key properties of 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 389.48 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 119037559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).