5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole

C18H16N2O3S — CID 141284093

IUPAC5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole
SMILESC1=C2COCC2CN1Cc1cc2ccc(Oc3nccs3)cc2o1
InChIInChI=1S/C18H16N2O3S/c1-2-15(23-18-19-3-4-24-18)6-17-12(1)5-16(22-17)9-20-7-13-10-21-11-14(13)8-20/h1-7,14H,8-11H2
InChIKeyMAMLAXYXQXADIQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.03
Rot. Bonds4

About 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole

5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole (PubChem CID 141284093) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole
PubChem CID141284093
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole
SMILESC1=C2COCC2CN1Cc1cc2ccc(Oc3nccs3)cc2o1
InChIInChI=1S/C18H16N2O3S/c1-2-15(23-18-19-3-4-24-18)6-17-12(1)5-16(22-17)9-20-7-13-10-21-11-14(13)8-20/h1-7,14H,8-11H2
InChIKeyMAMLAXYXQXADIQ-UHFFFAOYSA-N
XLogP4.03
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole (CID 141284093) is 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole is C1=C2COCC2CN1Cc1cc2ccc(Oc3nccs3)cc2o1.
What is the InChIKey of 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole?
The InChIKey is MAMLAXYXQXADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-15(23-18-19-3-4-24-18)6-17-12(1)5-16(22-17)9-20-7-13-10-21-11-14(13)8-20/h1-7,14H,8-11H2.
What are the key properties of 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole?
5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole has a molecular weight of 340.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1,3-thiazol-2-yloxy)-1-benzofuran-2-yl]methyl]-1,3,6,6a-tetrahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 141284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).