2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide

C13H10N4O2S — CID 153391029

IUPAC2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide
SMILESN#CC(=NOCc1csc(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C13H10N4O2S/c14-6-11(12(15)18)17-19-7-10-8-20-13(16-10)9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,15,18)
InChIKeyPSTMWOUXWXDGMW-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide

2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide (PubChem CID 153391029) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide
PubChem CID153391029
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide
SMILESN#CC(=NOCc1csc(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C13H10N4O2S/c14-6-11(12(15)18)17-19-7-10-8-20-13(16-10)9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,15,18)
InChIKeyPSTMWOUXWXDGMW-UHFFFAOYSA-N
XLogP1.69
TPSA101.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide?
The IUPAC name of 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide (CID 153391029) is 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide.
What is the SMILES notation for 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide?
The canonical SMILES for 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide is N#CC(=NOCc1csc(-c2ccccc2)n1)C(N)=O.
What is the InChIKey of 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide?
The InChIKey is PSTMWOUXWXDGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-6-11(12(15)18)17-19-7-10-8-20-13(16-10)9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,15,18).
What are the key properties of 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide?
2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide has a molecular weight of 286.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide is sourced from PubChem (CID 153391029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).