[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C17H20N2O4S — CID 4789746

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1cc(C)cc(NC(=O)COC(=O)CCn2c(C)csc2=O)c1
InChIInChI=1S/C17H20N2O4S/c1-11-6-12(2)8-14(7-11)18-15(20)9-23-16(21)4-5-19-13(3)10-24-17(19)22/h6-8,10H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyVGCXKBCPFVBHGI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.41
Rot. Bonds6

About [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 4789746) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID4789746
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1cc(C)cc(NC(=O)COC(=O)CCn2c(C)csc2=O)c1
InChIInChI=1S/C17H20N2O4S/c1-11-6-12(2)8-14(7-11)18-15(20)9-23-16(21)4-5-19-13(3)10-24-17(19)22/h6-8,10H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyVGCXKBCPFVBHGI-UHFFFAOYSA-N
XLogP2.41
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate with MolForge

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Related Compounds

[1-(Benzylamino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 16278239
[2-(4-Methylanilino)-2-oxoethyl] 2-(morpholine-4-carbothioylsulfanyl)acetate
CID 2535981
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24687199
[2-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
[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
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
CID 2093684
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537876
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24687399
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24980743
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 25162276

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 4789746) is [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1cc(C)cc(NC(=O)COC(=O)CCn2c(C)csc2=O)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is VGCXKBCPFVBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-6-12(2)8-14(7-11)18-15(20)9-23-16(21)4-5-19-13(3)10-24-17(19)22/h6-8,10H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 348.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 4789746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).