methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate

C15H16N2O4S — CID 4136913

IUPACmethyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESCOC(=O)CC1SC(=CC(=O)Nc2ccc(C)cc2)NC1=O
InChIInChI=1S/C15H16N2O4S/c1-9-3-5-10(6-4-9)16-12(18)8-13-17-15(20)11(22-13)7-14(19)21-2/h3-6,8,11H,7H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyNMFGTPKUQLJWOD-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate

methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 4136913) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID4136913
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESCOC(=O)CC1SC(=CC(=O)Nc2ccc(C)cc2)NC1=O
InChIInChI=1S/C15H16N2O4S/c1-9-3-5-10(6-4-9)16-12(18)8-13-17-15(20)11(22-13)7-14(19)21-2/h3-6,8,11H,7H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyNMFGTPKUQLJWOD-UHFFFAOYSA-N
XLogP1.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
methyl 2-[(2Z)-2-butylidene-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 142410227
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-(4-methylphenyl)-2-[(5S)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135750479
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135691792
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-[(2E,5S)-2-[(Z)-1-(3,4-dimethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135572168
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135704966
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
N-(4-bromophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135689420
2-[(5R)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135927418

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 4136913) is methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate is COC(=O)CC1SC(=CC(=O)Nc2ccc(C)cc2)NC1=O.
What is the InChIKey of methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is NMFGTPKUQLJWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-3-5-10(6-4-9)16-12(18)8-13-17-15(20)11(22-13)7-14(19)21-2/h3-6,8,11H,7H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 320.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 4136913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).