3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one

C21H17NOS — CID 71409333

IUPAC3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H17NOS/c23-19-13-24-21(16-5-2-1-3-6-16)22(19)18-12-11-15-10-9-14-7-4-8-17(18)20(14)15/h1-8,11-12,21H,9-10,13H2
InChIKeyOTYFVEIIRPIEOJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.72
Rot. Bonds2

About 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one

3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 71409333) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID71409333
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H17NOS/c23-19-13-24-21(16-5-2-1-3-6-16)22(19)18-12-11-15-10-9-14-7-4-8-17(18)20(14)15/h1-8,11-12,21H,9-10,13H2
InChIKeyOTYFVEIIRPIEOJ-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one (CID 71409333) is 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is OTYFVEIIRPIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c23-19-13-24-21(16-5-2-1-3-6-16)22(19)18-12-11-15-10-9-14-7-4-8-17(18)20(14)15/h1-8,11-12,21H,9-10,13H2.
What are the key properties of 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 331.44 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71409333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).