1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone

C22H28N4O2S — CID 130376882

IUPAC1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(C(C)c4ccc5c(c4)OCC5)CC3)sc2C1
InChIInChI=1S/C22H28N4O2S/c1-15(18-4-3-17-6-12-28-20(17)13-18)24-8-10-25(11-9-24)22-23-19-5-7-26(16(2)27)14-21(19)29-22/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyJJEVPCJVHYSPKK-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.87
Rot. Bonds3

About 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone

1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (PubChem CID 130376882) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
PubChem CID130376882
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2nc(N3CCN(C(C)c4ccc5c(c4)OCC5)CC3)sc2C1
InChIInChI=1S/C22H28N4O2S/c1-15(18-4-3-17-6-12-28-20(17)13-18)24-8-10-25(11-9-24)22-23-19-5-7-26(16(2)27)14-21(19)29-22/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyJJEVPCJVHYSPKK-UHFFFAOYSA-N
XLogP2.87
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone (CID 130376882) is 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2nc(N3CCN(C(C)c4ccc5c(c4)OCC5)CC3)sc2C1.
What is the InChIKey of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
The InChIKey is JJEVPCJVHYSPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-15(18-4-3-17-6-12-28-20(17)13-18)24-8-10-25(11-9-24)22-23-19-5-7-26(16(2)27)14-21(19)29-22/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone?
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone has a molecular weight of 412.56 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 130376882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).