methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate

C11H16N2O4S — CID 78959009

IUPACmethyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cscn1
InChIInChI=1S/C11H16N2O4S/c1-16-6-5-13(4-3-10(14)17-2)11(15)9-7-18-8-12-9/h7-8H,3-6H2,1-2H3
InChIKeyVRHTXGYKUQMGBP-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.79
Rot. Bonds7

About methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate

methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate (PubChem CID 78959009) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
PubChem CID78959009
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1cscn1
InChIInChI=1S/C11H16N2O4S/c1-16-6-5-13(4-3-10(14)17-2)11(15)9-7-18-8-12-9/h7-8H,3-6H2,1-2H3
InChIKeyVRHTXGYKUQMGBP-UHFFFAOYSA-N
XLogP0.79
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
CID 78959965
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
CID 63047684
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
CID 78959070
methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate
CID 113330616

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate (CID 78959009) is methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1cscn1.
What is the InChIKey of methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate?
The InChIKey is VRHTXGYKUQMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-16-6-5-13(4-3-10(14)17-2)11(15)9-7-18-8-12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate?
methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 78959009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).