(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone

C22H21NO2S — CID 122329170

IUPAC(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C22H21NO2S/c1-2-25-19-13-12-16-8-6-7-11-18(16)20(19)21(24)23-14-15-26-22(23)17-9-4-3-5-10-17/h3-13,22H,2,14-15H2,1H3
InChIKeyNKZMGCWJXKNOMN-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.13
Rot. Bonds4

About (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone

(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122329170) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122329170
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C22H21NO2S/c1-2-25-19-13-12-16-8-6-7-11-18(16)20(19)21(24)23-14-15-26-22(23)17-9-4-3-5-10-17/h3-13,22H,2,14-15H2,1H3
InChIKeyNKZMGCWJXKNOMN-UHFFFAOYSA-N
XLogP5.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone (CID 122329170) is (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCSC1c1ccccc1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is NKZMGCWJXKNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-2-25-19-13-12-16-8-6-7-11-18(16)20(19)21(24)23-14-15-26-22(23)17-9-4-3-5-10-17/h3-13,22H,2,14-15H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone?
(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 363.48 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122329170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).