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

C8H11N3O4S — CID 79457217

IUPAC2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESNc1nc(C(=O)NCCOCC(=O)O)cs1
InChIInChI=1S/C8H11N3O4S/c9-8-11-5(4-16-8)7(14)10-1-2-15-3-6(12)13/h4H,1-3H2,(H2,9,11)(H,10,14)(H,12,13)
InChIKeyYYHFDVAXUFOZIL-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.44
Rot. Bonds6

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

2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457217) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457217
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid
SMILESNc1nc(C(=O)NCCOCC(=O)O)cs1
InChIInChI=1S/C8H11N3O4S/c9-8-11-5(4-16-8)7(14)10-1-2-15-3-6(12)13/h4H,1-3H2,(H2,9,11)(H,10,14)(H,12,13)
InChIKeyYYHFDVAXUFOZIL-UHFFFAOYSA-N
XLogP-0.44
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.44
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-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
CID 79456857
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62845386
2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 115519247
2-amino-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-4-carboxamide
CID 62788374
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid (CID 79457217) is 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid is Nc1nc(C(=O)NCCOCC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is YYHFDVAXUFOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c9-8-11-5(4-16-8)7(14)10-1-2-15-3-6(12)13/h4H,1-3H2,(H2,9,11)(H,10,14)(H,12,13).
What are the key properties of 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 245.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).