3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one

C21H19N3O2S — CID 15358623

IUPAC3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2c3c(nc4ccccc24)CCCC3)N1Cc1ccco1
InChIInChI=1S/C21H19N3O2S/c25-19-13-27-21(24(19)12-14-6-5-11-26-14)23-20-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)20/h1,3,5-7,9,11H,2,4,8,10,12-13H2/b23-21-
InChIKeyPPAJFBGWVJHTRM-LNVKXUELSA-N
MW377.47 g/mol
LogP4.47
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one

3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one (PubChem CID 15358623) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one
PubChem CID15358623
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2c3c(nc4ccccc24)CCCC3)N1Cc1ccco1
InChIInChI=1S/C21H19N3O2S/c25-19-13-27-21(24(19)12-14-6-5-11-26-14)23-20-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)20/h1,3,5-7,9,11H,2,4,8,10,12-13H2/b23-21-
InChIKeyPPAJFBGWVJHTRM-LNVKXUELSA-N
XLogP4.47
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one (CID 15358623) is 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2c3c(nc4ccccc24)CCCC3)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is PPAJFBGWVJHTRM-LNVKXUELSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-19-13-27-21(24(19)12-14-6-5-11-26-14)23-20-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)20/h1,3,5-7,9,11H,2,4,8,10,12-13H2/b23-21-.
What are the key properties of 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one?
3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 377.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15358623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).