5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one

C18H18N2O2S — CID 18824515

IUPAC5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(CCO)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C18H18N2O2S/c1-2-11-20-17(22)16(10-12-21)23-18(20)19-15-9-5-7-13-6-3-4-8-14(13)15/h2-9,16,21H,1,10-12H2/b19-18-
InChIKeyWXVDEKYGDNUOFC-HNENSFHCSA-N
MW326.42 g/mol
LogP3.34
Rot. Bonds5

About 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one

5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18824515) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID18824515
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(CCO)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C18H18N2O2S/c1-2-11-20-17(22)16(10-12-21)23-18(20)19-15-9-5-7-13-6-3-4-8-14(13)15/h2-9,16,21H,1,10-12H2/b19-18-
InChIKeyWXVDEKYGDNUOFC-HNENSFHCSA-N
XLogP3.34
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18824515) is 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)C(CCO)S/C1=N\c1cccc2ccccc12.
What is the InChIKey of 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is WXVDEKYGDNUOFC-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-11-20-17(22)16(10-12-21)23-18(20)19-15-9-5-7-13-6-3-4-8-14(13)15/h2-9,16,21H,1,10-12H2/b19-18-.
What are the key properties of 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?
5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 326.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18824515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).