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

C8H10N4O4S — CID 21286885

IUPAC(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
SMILESNCCO/N=C(\C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C8H10N4O4S/c9-1-2-16-12-6(7(14)15)5-3-17-8(11-5)10-4-13/h3-4H,1-2,9H2,(H,14,15)(H,10,11,13)/b12-6-
InChIKeyUWZMXJLQQLSSMG-SDQBBNPISA-N
MW258.26 g/mol
LogP-0.52
Rot. Bonds7

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

(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid (PubChem CID 21286885) has the molecular formula C8H10N4O4S and a molecular weight of 258.26 g/mol. Its IUPAC name is (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
PubChem CID21286885
Molecular FormulaC8H10N4O4S
Molecular Weight258.26 g/mol
Exact Mass258.04
IUPAC Name(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
SMILESNCCO/N=C(\C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C8H10N4O4S/c9-1-2-16-12-6(7(14)15)5-3-17-8(11-5)10-4-13/h3-4H,1-2,9H2,(H,14,15)(H,10,11,13)/b12-6-
InChIKeyUWZMXJLQQLSSMG-SDQBBNPISA-N
XLogP-0.52
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
(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
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
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetamide
CID 88730387
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid;hydrate
CID 162317113
(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid
CID 88756843
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 (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid (CID 21286885) is (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid is NCCO/N=C(\C(=O)O)c1csc(NC=O)n1.
What is the InChIKey of (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
The InChIKey is UWZMXJLQQLSSMG-SDQBBNPISA-N. The full InChI is InChI=1S/C8H10N4O4S/c9-1-2-16-12-6(7(14)15)5-3-17-8(11-5)10-4-13/h3-4H,1-2,9H2,(H,14,15)(H,10,11,13)/b12-6-.
What are the key properties of (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid?
(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid has a molecular weight of 258.26 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 21286885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).