1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone

C13H13NO2S2 — CID 61219522

IUPAC1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
SMILESCCOc1ccccc1C(=O)CSc1nccs1
InChIInChI=1S/C13H13NO2S2/c1-2-16-12-6-4-3-5-10(12)11(15)9-18-13-14-7-8-17-13/h3-8H,2,9H2,1H3
InChIKeyWARRFQKCYSLGLS-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone

1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone (PubChem CID 61219522) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
PubChem CID61219522
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
SMILESCCOc1ccccc1C(=O)CSc1nccs1
InChIInChI=1S/C13H13NO2S2/c1-2-16-12-6-4-3-5-10(12)11(15)9-18-13-14-7-8-17-13/h3-8H,2,9H2,1H3
InChIKeyWARRFQKCYSLGLS-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
CID 107781155
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(1,3-thiazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61220278
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 60530030
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
CID 107752662
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone (CID 61219522) is 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone is CCOc1ccccc1C(=O)CSc1nccs1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The InChIKey is WARRFQKCYSLGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c1-2-16-12-6-4-3-5-10(12)11(15)9-18-13-14-7-8-17-13/h3-8H,2,9H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone has a molecular weight of 279.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 61219522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).