3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one

C15H13NO2S — CID 101452758

IUPAC3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one
SMILESO=C(Cc1cccc2ccccc12)N1CCSC1=O
InChIInChI=1S/C15H13NO2S/c17-14(16-8-9-19-15(16)18)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyMHGYHZZETHYXAV-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.08
Rot. Bonds2

About 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one

3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one (PubChem CID 101452758) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one
PubChem CID101452758
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one
SMILESO=C(Cc1cccc2ccccc12)N1CCSC1=O
InChIInChI=1S/C15H13NO2S/c17-14(16-8-9-19-15(16)18)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyMHGYHZZETHYXAV-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one (CID 101452758) is 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one is O=C(Cc1cccc2ccccc12)N1CCSC1=O.
What is the InChIKey of 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one?
The InChIKey is MHGYHZZETHYXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-14(16-8-9-19-15(16)18)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2.
What are the key properties of 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one?
3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 101452758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).