2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C17H17N5O2S — CID 32647659

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H17N5O2S/c23-16(10-13-12-25-17(20-13)14-2-1-9-24-14)22-7-5-21(6-8-22)15-11-18-3-4-19-15/h1-4,9,11-12H,5-8,10H2
InChIKeyDJPLLBFGEWKOEM-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.08
Rot. Bonds4

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 32647659) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID32647659
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H17N5O2S/c23-16(10-13-12-25-17(20-13)14-2-1-9-24-14)22-7-5-21(6-8-22)15-11-18-3-4-19-15/h1-4,9,11-12H,5-8,10H2
InChIKeyDJPLLBFGEWKOEM-UHFFFAOYSA-N
XLogP2.08
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 32647659) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1csc(-c2ccco2)n1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DJPLLBFGEWKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-16(10-13-12-25-17(20-13)14-2-1-9-24-14)22-7-5-21(6-8-22)15-11-18-3-4-19-15/h1-4,9,11-12H,5-8,10H2.
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 355.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 32647659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).