2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid

C10H15N3O4S — CID 79271168

IUPAC2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCc1cscn1
InChIInChI=1S/C10H15N3O4S/c1-17-3-2-13(5-9(14)15)10(16)11-4-8-6-18-7-12-8/h6-7H,2-5H2,1H3,(H,11,16)(H,14,15)
InChIKeyZIMRWDOANGGJNN-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.39
Rot. Bonds7

About 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid

2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 79271168) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
PubChem CID79271168
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCc1cscn1
InChIInChI=1S/C10H15N3O4S/c1-17-3-2-13(5-9(14)15)10(16)11-4-8-6-18-7-12-8/h6-7H,2-5H2,1H3,(H,11,16)(H,14,15)
InChIKeyZIMRWDOANGGJNN-UHFFFAOYSA-N
XLogP0.39
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 79271368
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 107438781
2-[prop-2-ynyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79282955
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 114701353
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 115991082
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid (CID 79271168) is 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCc1cscn1.
What is the InChIKey of 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is ZIMRWDOANGGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-17-3-2-13(5-9(14)15)10(16)11-4-8-6-18-7-12-8/h6-7H,2-5H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79271168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).