2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C15H13NO2S2 — CID 11012135

IUPAC2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCSC1=S
InChIInChI=1S/C15H13NO2S2/c17-14(16-7-8-20-15(16)19)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyVCQXUTGULAJSDK-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.08
Rot. Bonds3

About 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 11012135) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID11012135
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCSC1=S
InChIInChI=1S/C15H13NO2S2/c17-14(16-7-8-20-15(16)19)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKeyVCQXUTGULAJSDK-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 13289317
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
CID 15033465
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
2-(2-methylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 82119544
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
2-(3-bromophenoxy)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 112781455
2-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 71503409
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-yloxyacetamide
CID 59421573
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 11012135) is 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is O=C(COc1ccc2ccccc2c1)N1CCSC1=S.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is VCQXUTGULAJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c17-14(16-7-8-20-15(16)19)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 11012135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).