2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole

C19H21N3O2S — CID 141284085

IUPAC2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole
SMILESc1csc(Oc2ccc3c(CN4CCN5CCCC5C4)coc3c2)n1
InChIInChI=1S/C19H21N3O2S/c1-2-15-12-21(7-8-22(15)6-1)11-14-13-23-18-10-16(3-4-17(14)18)24-19-20-5-9-25-19/h3-5,9-10,13,15H,1-2,6-8,11-12H2
InChIKeyGYXZXMBJYLGTDG-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.96
Rot. Bonds4

About 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole

2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole (PubChem CID 141284085) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole
PubChem CID141284085
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole
SMILESc1csc(Oc2ccc3c(CN4CCN5CCCC5C4)coc3c2)n1
InChIInChI=1S/C19H21N3O2S/c1-2-15-12-21(7-8-22(15)6-1)11-14-13-23-18-10-16(3-4-17(14)18)24-19-20-5-9-25-19/h3-5,9-10,13,15H,1-2,6-8,11-12H2
InChIKeyGYXZXMBJYLGTDG-UHFFFAOYSA-N
XLogP3.96
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole (CID 141284085) is 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole is c1csc(Oc2ccc3c(CN4CCN5CCCC5C4)coc3c2)n1.
What is the InChIKey of 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole?
The InChIKey is GYXZXMBJYLGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-15-12-21(7-8-22(15)6-1)11-14-13-23-18-10-16(3-4-17(14)18)24-19-20-5-9-25-19/h3-5,9-10,13,15H,1-2,6-8,11-12H2.
What are the key properties of 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole?
2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole has a molecular weight of 355.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 141284085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).