2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine

C19H20N4O2S — CID 18186931

IUPAC2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine
SMILESc1ccc(Oc2ccsc2COc2cncc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H20N4O2S/c1-2-4-15(5-3-1)25-16-6-11-26-17(16)14-24-19-13-21-12-18(22-19)23-9-7-20-8-10-23/h1-6,11-13,20H,7-10,14H2
InChIKeyXZEUVSFATDGCOA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.32
Rot. Bonds6

About 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine

2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine (PubChem CID 18186931) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine
PubChem CID18186931
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine
SMILESc1ccc(Oc2ccsc2COc2cncc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H20N4O2S/c1-2-4-15(5-3-1)25-16-6-11-26-17(16)14-24-19-13-21-12-18(22-19)23-9-7-20-8-10-23/h1-6,11-13,20H,7-10,14H2
InChIKeyXZEUVSFATDGCOA-UHFFFAOYSA-N
XLogP3.32
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine (CID 18186931) is 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine is c1ccc(Oc2ccsc2COc2cncc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine?
The InChIKey is XZEUVSFATDGCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-4-15(5-3-1)25-16-6-11-26-17(16)14-24-19-13-21-12-18(22-19)23-9-7-20-8-10-23/h1-6,11-13,20H,7-10,14H2.
What are the key properties of 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine?
2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine has a molecular weight of 368.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxythiophen-2-yl)methoxy]-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 18186931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).