3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione

C12H14N2O3S — CID 16643932

IUPAC3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(Nc2ccccc2OC)C1=O
InChIInChI=1S/C12H14N2O3S/c1-3-14-11(15)10(18-12(14)16)13-8-6-4-5-7-9(8)17-2/h4-7,10,13H,3H2,1-2H3
InChIKeyDUMWGQTXNGOCRQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.15
Rot. Bonds4

About 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione

3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 16643932) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione
PubChem CID16643932
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)SC(Nc2ccccc2OC)C1=O
InChIInChI=1S/C12H14N2O3S/c1-3-14-11(15)10(18-12(14)16)13-8-6-4-5-7-9(8)17-2/h4-7,10,13H,3H2,1-2H3
InChIKeyDUMWGQTXNGOCRQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_F(1)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyanilino)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3655928
(5R)-3-(2-chloroethyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42416059
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 7318576
2-[[(5S)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoate
CID 7162240
3-[(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
CID 84818185
(5S)-5-(4-methoxyanilino)-3-propyl-1,3-thiazolidine-2,4-dione
CID 51566651
3-[(4-bromophenyl)methyl]-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
CID 4728946
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500
4-(2-methoxyanilino)cyclohexan-1-one
CID 117027862
2-[(1R,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 50904210
2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 124718906
2-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 124718908

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione (CID 16643932) is 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione is CCN1C(=O)SC(Nc2ccccc2OC)C1=O.
What is the InChIKey of 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is DUMWGQTXNGOCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-14-11(15)10(18-12(14)16)13-8-6-4-5-7-9(8)17-2/h4-7,10,13H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione?
3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 266.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methoxyanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16643932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).