[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

C15H18N2O4S — CID 2093684

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C
InChIInChI=1S/C15H18N2O4S/c1-10-3-4-12(5-11(10)2)16-13(18)7-21-15(20)6-17-9-22-8-14(17)19/h3-5H,6-9H2,1-2H3,(H,16,18)
InChIKeyIRUJMNFWNALISJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.32
Rot. Bonds5

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (PubChem CID 2093684) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
PubChem CID2093684
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C
InChIInChI=1S/C15H18N2O4S/c1-10-3-4-12(5-11(10)2)16-13(18)7-21-15(20)6-17-9-22-8-14(17)19/h3-5H,6-9H2,1-2H3,(H,16,18)
InChIKeyIRUJMNFWNALISJ-UHFFFAOYSA-N
XLogP1.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)acetate
CID 3155753
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 2433328
[2-(4-Methylanilino)-2-oxoethyl] 2-(morpholine-4-carbothioylsulfanyl)acetate
CID 2535981
ethyl (2Z)-2-[3-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695338
{5-[(4-Methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
CID 2771084
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 2471232
[2-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
[2-(3,5-Dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 4789746
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602200
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687465
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25163721
5-[2-Methyl-4-(4-morpholinyl)benzylidene]-1,3-thiazolidine-2,4-dione
CID 1309596

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (CID 2093684) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is Cc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The InChIKey is IRUJMNFWNALISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-3-4-12(5-11(10)2)16-13(18)7-21-15(20)6-17-9-22-8-14(17)19/h3-5H,6-9H2,1-2H3,(H,16,18).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate has a molecular weight of 322.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 2093684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).