2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid

C9H13N3O4S — CID 79456857

IUPAC2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
SMILESNc1nc(CC(=O)NCCOCC(=O)O)cs1
InChIInChI=1S/C9H13N3O4S/c10-9-12-6(5-17-9)3-7(13)11-1-2-16-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)
InChIKeyNTZPKLTZZFGINN-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.51
Rot. Bonds7

About 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid

2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79456857) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
PubChem CID79456857
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
SMILESNc1nc(CC(=O)NCCOCC(=O)O)cs1
InChIInChI=1S/C9H13N3O4S/c10-9-12-6(5-17-9)3-7(13)11-1-2-16-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)
InChIKeyNTZPKLTZZFGINN-UHFFFAOYSA-N
XLogP-0.51
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457217
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-(2-cyclopentyloxyethyl)acetamide
CID 63827928
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid (CID 79456857) is 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid is Nc1nc(CC(=O)NCCOCC(=O)O)cs1.
What is the InChIKey of 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is NTZPKLTZZFGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-9-12-6(5-17-9)3-7(13)11-1-2-16-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15).
What are the key properties of 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 259.29 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79456857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).