1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one

C14H19N5O3S2 — CID 126776840

IUPAC1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one
SMILESCn1cc(N2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2=O)cn1
InChIInChI=1S/C14H19N5O3S2/c1-17-7-12(5-15-17)19-4-3-18(8-14(19)20)6-11-9-23-13(16-11)10-24(2,21)22/h5,7,9H,3-4,6,8,10H2,1-2H3
InChIKeyWLOXMZRMGWODDM-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.27
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one (PubChem CID 126776840) has the molecular formula C14H19N5O3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one
PubChem CID126776840
Molecular FormulaC14H19N5O3S2
Molecular Weight369.47 g/mol
Exact Mass369.09
IUPAC Name1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one
SMILESCn1cc(N2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2=O)cn1
InChIInChI=1S/C14H19N5O3S2/c1-17-7-12(5-15-17)19-4-3-18(8-14(19)20)6-11-9-23-13(16-11)10-24(2,21)22/h5,7,9H,3-4,6,8,10H2,1-2H3
InChIKeyWLOXMZRMGWODDM-UHFFFAOYSA-N
XLogP0.27
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 167859840
4-[(5-fluoro-2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 122138686
N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434229
4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 97159814
2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126773878
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166226934
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433322
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-oxopiperazine-1-carboximidamide
CID 109434443
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one (CID 126776840) is 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one is Cn1cc(N2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
The InChIKey is WLOXMZRMGWODDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2/c1-17-7-12(5-15-17)19-4-3-18(8-14(19)20)6-11-9-23-13(16-11)10-24(2,21)22/h5,7,9H,3-4,6,8,10H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one has a molecular weight of 369.47 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 126776840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).