1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one

C17H19N3O3S — CID 170379728

IUPAC1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one
SMILESCCC1CC2C(CO1)NC(=O)N2c1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C17H19N3O3S/c1-2-9-7-12-11(8-23-9)18-16(21)20(12)17-19-15-10-5-6-22-13(10)3-4-14(15)24-17/h3-4,9,11-12H,2,5-8H2,1H3,(H,18,21)
InChIKeyPZRYRKMZQYTBKY-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.70
Rot. Bonds2

About 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one

1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one (PubChem CID 170379728) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one.

Molecular Properties

Compound Name1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one
PubChem CID170379728
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one
SMILESCCC1CC2C(CO1)NC(=O)N2c1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C17H19N3O3S/c1-2-9-7-12-11(8-23-9)18-16(21)20(12)17-19-15-10-5-6-22-13(10)3-4-14(15)24-17/h3-4,9,11-12H,2,5-8H2,1H3,(H,18,21)
InChIKeyPZRYRKMZQYTBKY-UHFFFAOYSA-N
XLogP2.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one?
The IUPAC name of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one (CID 170379728) is 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one.
What is the SMILES notation for 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one?
The canonical SMILES for 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one is CCC1CC2C(CO1)NC(=O)N2c1nc2c3c(ccc2s1)OCC3.
What is the InChIKey of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one?
The InChIKey is PZRYRKMZQYTBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-9-7-12-11(8-23-9)18-16(21)20(12)17-19-15-10-5-6-22-13(10)3-4-14(15)24-17/h3-4,9,11-12H,2,5-8H2,1H3,(H,18,21).
What are the key properties of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one?
1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one has a molecular weight of 345.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one is sourced from PubChem (CID 170379728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).