2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid

C9H12N2O4S — CID 63023024

IUPAC2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cscn1
InChIInChI=1S/C9H12N2O4S/c1-15-3-2-11(4-8(12)13)9(14)7-5-16-6-10-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyAQFJSUQSYIWPCC-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.32
Rot. Bonds6

About 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid

2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 63023024) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID63023024
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cscn1
InChIInChI=1S/C9H12N2O4S/c1-15-3-2-11(4-8(12)13)9(14)7-5-16-6-10-7/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyAQFJSUQSYIWPCC-UHFFFAOYSA-N
XLogP0.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79271168
2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 79271368
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 80660747
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348120
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid (CID 63023024) is 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cscn1.
What is the InChIKey of 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is AQFJSUQSYIWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-15-3-2-11(4-8(12)13)9(14)7-5-16-6-10-7/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 244.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 63023024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).