2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid

C8H9N3O4S — CID 54458077

IUPAC2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
SMILESCCON=C(C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C8H9N3O4S/c1-2-15-11-6(7(13)14)5-3-16-8(10-5)9-4-12/h3-4H,2H2,1H3,(H,13,14)(H,9,10,12)
InChIKeyWZPOBANFTJLEHD-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.54
Rot. Bonds6

About 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid

2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid (PubChem CID 54458077) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
PubChem CID54458077
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
SMILESCCON=C(C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C8H9N3O4S/c1-2-15-11-6(7(13)14)5-3-16-8(10-5)9-4-12/h3-4H,2H2,1H3,(H,13,14)(H,9,10,12)
InChIKeyWZPOBANFTJLEHD-UHFFFAOYSA-N
XLogP0.54
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54132484
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid
CID 12766142
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 21286885
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]oxyiminoacetic acid
CID 54528151
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)acetic acid
CID 14326067
(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]acetic acid
CID 88615804
(6S)-7-[[2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-3,8-dioxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
CID 57128342
methyl 2-ethoxyimino-2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 54036724
2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid;hydrate
CID 162317113
2-(3,4-diacetyloxybenzoyl)oxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 88735462

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid (CID 54458077) is 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid is CCON=C(C(=O)O)c1csc(NC=O)n1.
What is the InChIKey of 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
The InChIKey is WZPOBANFTJLEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c1-2-15-11-6(7(13)14)5-3-16-8(10-5)9-4-12/h3-4H,2H2,1H3,(H,13,14)(H,9,10,12).
What are the key properties of 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid has a molecular weight of 243.24 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 54458077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).