(2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde

C7H11N3O3S — CID 173351810

IUPAC(2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde
SMILESCCO/N=C(\C=O)C1=CSC(N)N1O
InChIInChI=1S/C7H11N3O3S/c1-2-13-9-5(3-11)6-4-14-7(8)10(6)12/h3-4,7,12H,2,8H2,1H3/b9-5+
InChIKeyLSGISNPDXQVYLK-WEVVVXLNSA-N
MW217.25 g/mol
LogP0.10
Rot. Bonds4

About (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde

(2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde (PubChem CID 173351810) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde
PubChem CID173351810
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name(2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde
SMILESCCO/N=C(\C=O)C1=CSC(N)N1O
InChIInChI=1S/C7H11N3O3S/c1-2-13-9-5(3-11)6-4-14-7(8)10(6)12/h3-4,7,12H,2,8H2,1H3/b9-5+
InChIKeyLSGISNPDXQVYLK-WEVVVXLNSA-N
XLogP0.10
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-ethoxyiminobutanal
CID 159082631
(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
CID 173351801
methyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetate
CID 173396102
1-[5-[(E)-N-ethoxy-C-methylcarbonimidoyl]thiophen-2-yl]ethanone
CID 14099083
2-(2-amino-1,3-thiazol-4-yl)-2-but-3-enoxyiminoacetaldehyde
CID 54409344
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
(2Z)-2-ethoxyimino-2-phenylacetamide
CID 6063894
5-[(E)-N-ethoxy-C-methylcarbonimidoyl]-3-ethyl-1-methylimidazolidine-2,4-dione
CID 172954465
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)methoxyimino]acetaldehyde
CID 173392395
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
CID 59874410
ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
CID 11550156
2-[(2-oxo-1-phenylethylidene)amino]oxyacetonitrile
CID 91402922

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde?
The IUPAC name of (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde (CID 173351810) is (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde.
What is the SMILES notation for (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde?
The canonical SMILES for (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde is CCO/N=C(\C=O)C1=CSC(N)N1O.
What is the InChIKey of (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde?
The InChIKey is LSGISNPDXQVYLK-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-2-13-9-5(3-11)6-4-14-7(8)10(6)12/h3-4,7,12H,2,8H2,1H3/b9-5+.
What are the key properties of (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde?
(2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde has a molecular weight of 217.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-3-hydroxy-2H-1,3-thiazol-4-yl)-2-ethoxyiminoacetaldehyde is sourced from PubChem (CID 173351810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).