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

C16H18N2O4S — CID 2537876

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1C
InChIInChI=1S/C16H18N2O4S/c1-10-4-5-13(6-11(10)2)17-14(19)8-22-15(20)7-18-12(3)9-23-16(18)21/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyKBIBODPAHDBHTF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.02
Rot. Bonds5

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

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 2537876) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID2537876
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1C
InChIInChI=1S/C16H18N2O4S/c1-10-4-5-13(6-11(10)2)17-14(19)8-22-15(20)7-18-12(3)9-23-16(18)21/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyKBIBODPAHDBHTF-UHFFFAOYSA-N
XLogP2.02
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate with MolForge

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Related Compounds

Ethyl 2-(2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)acetate
CID 3155753
[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
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 4851583
[2-(2,3-Dimethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727818
[2-(Benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9166545
[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

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 2537876) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is KBIBODPAHDBHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-4-5-13(6-11(10)2)17-14(19)8-22-15(20)7-18-12(3)9-23-16(18)21/h4-6,9H,7-8H2,1-3H3,(H,17,19).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 334.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 2537876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).