3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one

C14H17N5O2S2 — CID 77080732

IUPAC3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCc1csc(SCC(=O)N2CCN(c3ncc[nH]c3=O)CC2)n1
InChIInChI=1S/C14H17N5O2S2/c1-10-8-22-14(17-10)23-9-11(20)18-4-6-19(7-5-18)12-13(21)16-3-2-15-12/h2-3,8H,4-7,9H2,1H3,(H,16,21)
InChIKeyZCUNLHJCNKQWOW-UHFFFAOYSA-N
MW351.46 g/mol
LogP0.98
Rot. Bonds4

About 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 77080732) has the molecular formula C14H17N5O2S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID77080732
Molecular FormulaC14H17N5O2S2
Molecular Weight351.46 g/mol
Exact Mass351.08
IUPAC Name3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCc1csc(SCC(=O)N2CCN(c3ncc[nH]c3=O)CC2)n1
InChIInChI=1S/C14H17N5O2S2/c1-10-8-22-14(17-10)23-9-11(20)18-4-6-19(7-5-18)12-13(21)16-3-2-15-12/h2-3,8H,4-7,9H2,1H3,(H,16,21)
InChIKeyZCUNLHJCNKQWOW-UHFFFAOYSA-N
XLogP0.98
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4235369
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 51216012
1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 4005954
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 156609345
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 115650168
3-[4-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 119069229
3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 90648239
1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 118793945
3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 86285968
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30777908
N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4273361

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 77080732) is 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one is Cc1csc(SCC(=O)N2CCN(c3ncc[nH]c3=O)CC2)n1.
What is the InChIKey of 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is ZCUNLHJCNKQWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S2/c1-10-8-22-14(17-10)23-9-11(20)18-4-6-19(7-5-18)12-13(21)16-3-2-15-12/h2-3,8H,4-7,9H2,1H3,(H,16,21).
What are the key properties of 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 351.46 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 77080732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).