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

C16H17NO2S — CID 122332035

IUPAC(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCSC1
InChIInChI=1S/C16H17NO2S/c1-2-19-14-8-7-12-5-3-4-6-13(12)15(14)16(18)17-9-10-20-11-17/h3-8H,2,9-11H2,1H3
InChIKeyOXVNKPULKDLTHY-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.38
Rot. Bonds3

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

(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 122332035) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID122332035
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCSC1
InChIInChI=1S/C16H17NO2S/c1-2-19-14-8-7-12-5-3-4-6-13(12)15(14)16(18)17-9-10-20-11-17/h3-8H,2,9-11H2,1H3
InChIKeyOXVNKPULKDLTHY-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
(2-ethoxynaphthalen-1-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329170
(2-ethoxynaphthalen-1-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982544
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 121130971
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122337964
(2-ethoxynaphthalen-1-yl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338219
[(3aS)-2-quinoxalin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122691775
(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
benzyl 2-[4-(2-ethoxynaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate
CID 3262319

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone (CID 122332035) is (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCSC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is OXVNKPULKDLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-19-14-8-7-12-5-3-4-6-13(12)15(14)16(18)17-9-10-20-11-17/h3-8H,2,9-11H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone?
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122332035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).