methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate

C17H19N3O5S — CID 46538899

IUPACmethyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CCn2c(C)csc2=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-11-10-26-17(24)20(11)8-7-14(21)19-13-5-3-12(4-6-13)16(23)18-9-15(22)25-2/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyASQRXSRXCUUKGO-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.15
Rot. Bonds7

About methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate

methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate (PubChem CID 46538899) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
PubChem CID46538899
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Namemethyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CCn2c(C)csc2=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-11-10-26-17(24)20(11)8-7-14(21)19-13-5-3-12(4-6-13)16(23)18-9-15(22)25-2/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyASQRXSRXCUUKGO-UHFFFAOYSA-N
XLogP1.15
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate with MolForge

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Related Compounds

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
N-ethyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 87005139
methyl 2-[[4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoyl]amino]acetate
CID 51241311
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26369597
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 43029567
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 2-[[4-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoyl]amino]acetate
CID 46584733
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate (CID 46538899) is methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)CCn2c(C)csc2=O)cc1.
What is the InChIKey of methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate?
The InChIKey is ASQRXSRXCUUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-10-26-17(24)20(11)8-7-14(21)19-13-5-3-12(4-6-13)16(23)18-9-15(22)25-2/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate?
methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate has a molecular weight of 377.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate is sourced from PubChem (CID 46538899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).