2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine

C16H21N5O2S — CID 22036488

IUPAC2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
SMILESCSc1ncccc1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C16H21N5O2S/c1-24-16-13(3-2-4-20-16)22-11-12-23-15-14(18-5-6-19-15)21-9-7-17-8-10-21/h2-6,17H,7-12H2,1H3
InChIKeyIDGPVJWBBOIPLR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine

2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine (PubChem CID 22036488) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
PubChem CID22036488
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
SMILESCSc1ncccc1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C16H21N5O2S/c1-24-16-13(3-2-4-20-16)22-11-12-23-15-14(18-5-6-19-15)21-9-7-17-8-10-21/h2-6,17H,7-12H2,1H3
InChIKeyIDGPVJWBBOIPLR-UHFFFAOYSA-N
XLogP1.46
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-pyridinyl]piperazine
CID 139939327
8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036264
5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
CID 22036271
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
CID 22036368
7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
CID 22036358
5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036476
8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-4H-1,4-benzoxazin-3-one
CID 22036369
2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
CID 22036428
N-phenyl-3-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]aniline
CID 22036521
2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
CID 22036286
(E)-but-2-enedioic acid;4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine
CID 22036400
2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine
CID 22036316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine (CID 22036488) is 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine is CSc1ncccc1OCCOc1nccnc1N1CCNCC1.
What is the InChIKey of 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
The InChIKey is IDGPVJWBBOIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-24-16-13(3-2-4-20-16)22-11-12-23-15-14(18-5-6-19-15)21-9-7-17-8-10-21/h2-6,17H,7-12H2,1H3.
What are the key properties of 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine?
2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine has a molecular weight of 347.44 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 22036488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).