(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide

C8H12N4O2S — CID 59874410

IUPAC(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
SMILESCCO/N=C(/C(=O)NC)c1csc(N)n1
InChIInChI=1S/C8H12N4O2S/c1-3-14-12-6(7(13)10-2)5-4-15-8(9)11-5/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)/b12-6+
InChIKeyUNWBCARXBVEFLW-WUXMJOGZSA-N
MW228.28 g/mol
LogP0.21
Rot. Bonds4

About (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide

(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide (PubChem CID 59874410) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
PubChem CID59874410
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
SMILESCCO/N=C(/C(=O)NC)c1csc(N)n1
InChIInChI=1S/C8H12N4O2S/c1-3-14-12-6(7(13)10-2)5-4-15-8(9)11-5/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)/b12-6+
InChIKeyUNWBCARXBVEFLW-WUXMJOGZSA-N
XLogP0.21
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide (CID 59874410) is (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide is CCO/N=C(/C(=O)NC)c1csc(N)n1.
What is the InChIKey of (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide?
The InChIKey is UNWBCARXBVEFLW-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-3-14-12-6(7(13)10-2)5-4-15-8(9)11-5/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)/b12-6+.
What are the key properties of (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide?
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide has a molecular weight of 228.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide is sourced from PubChem (CID 59874410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).