(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate

C5H5N3O3S — CID 88605381

IUPAC(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
SMILESNc1nc(OC(=O)/C=N\O)cs1
InChIInChI=1S/C5H5N3O3S/c6-5-8-3(2-12-5)11-4(9)1-7-10/h1-2,10H,(H2,6,8)/b7-1-
InChIKeyUSAQVFGCWHRULT-XFSBKJJWSA-N
MW187.18 g/mol
LogP0.09
Rot. Bonds2

About (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate

(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate (PubChem CID 88605381) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
PubChem CID88605381
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC Name(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
SMILESNc1nc(OC(=O)/C=N\O)cs1
InChIInChI=1S/C5H5N3O3S/c6-5-8-3(2-12-5)11-4(9)1-7-10/h1-2,10H,(H2,6,8)/b7-1-
InChIKeyUSAQVFGCWHRULT-XFSBKJJWSA-N
XLogP0.09
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride
CID 174288958
(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
CID 151561122
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
CID 87957803
2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]ethanethioic S-acid
CID 154451443
(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine
CID 166829588
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
[(2-amino-1,3-thiazol-4-yl)methylideneamino] 2-chloroacetate
CID 74054264
2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
CID 145366322
2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-3-oxo-4-(tetrazol-1-yl)butanal
CID 57133896
[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate
CID 174998265
carbonic acid;4-prop-1-enyl-1,3-thiazol-2-amine
CID 88644555
carbonic acid;4-[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
CID 88600251

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate (CID 88605381) is (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate is Nc1nc(OC(=O)/C=N\O)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate?
The InChIKey is USAQVFGCWHRULT-XFSBKJJWSA-N. The full InChI is InChI=1S/C5H5N3O3S/c6-5-8-3(2-12-5)11-4(9)1-7-10/h1-2,10H,(H2,6,8)/b7-1-.
What are the key properties of (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate?
(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate has a molecular weight of 187.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate is sourced from PubChem (CID 88605381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).