2-(1,3-thiazole-4-carbonylamino)oxyacetic acid

C6H6N2O4S — CID 63913381

IUPAC2-(1,3-thiazole-4-carbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)c1cscn1
InChIInChI=1S/C6H6N2O4S/c9-5(10)1-12-8-6(11)4-2-13-3-7-4/h2-3H,1H2,(H,8,11)(H,9,10)
InChIKeyAJDWWZYCUNGCPQ-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.11
Rot. Bonds4

About 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid

2-(1,3-thiazole-4-carbonylamino)oxyacetic acid (PubChem CID 63913381) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(1,3-thiazole-4-carbonylamino)oxyacetic acid
PubChem CID63913381
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Name2-(1,3-thiazole-4-carbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)c1cscn1
InChIInChI=1S/C6H6N2O4S/c9-5(10)1-12-8-6(11)4-2-13-3-7-4/h2-3H,1H2,(H,8,11)(H,9,10)
InChIKeyAJDWWZYCUNGCPQ-UHFFFAOYSA-N
XLogP-0.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
CID 112550667
N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
CID 81343248
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-cyclopentyloxy-1,3-thiazole-4-carboxamide
CID 83202530
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid?
The IUPAC name of 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid (CID 63913381) is 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid.
What is the SMILES notation for 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid?
The canonical SMILES for 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid is O=C(O)CONC(=O)c1cscn1.
What is the InChIKey of 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid?
The InChIKey is AJDWWZYCUNGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c9-5(10)1-12-8-6(11)4-2-13-3-7-4/h2-3H,1H2,(H,8,11)(H,9,10).
What are the key properties of 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid?
2-(1,3-thiazole-4-carbonylamino)oxyacetic acid has a molecular weight of 202.19 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazole-4-carbonylamino)oxyacetic acid is sourced from PubChem (CID 63913381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).