1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate

C6H7N5OS — CID 174722147

IUPAC1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
SMILES[H]/N=C(\C#N)OC(C)c1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c1-3(12-4(8)2-7)5-10-6(9)13-11-5/h3,8H,1H3,(H2,9,10,11)/b8-4+
InChIKeyYNZBXMAPHYUXIU-XBXARRHUSA-N
MW197.22 g/mol
LogP0.70
Rot. Bonds2

About 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate

1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate (PubChem CID 174722147) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate.

Molecular Properties

Compound Name1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
PubChem CID174722147
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
SMILES[H]/N=C(\C#N)OC(C)c1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c1-3(12-4(8)2-7)5-10-6(9)13-11-5/h3,8H,1H3,(H2,9,10,11)/b8-4+
InChIKeyYNZBXMAPHYUXIU-XBXARRHUSA-N
XLogP0.70
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
The IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate (CID 174722147) is 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate.
What is the SMILES notation for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
The canonical SMILES for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate is [H]/N=C(\C#N)OC(C)c1nsc(N)n1.
What is the InChIKey of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
The InChIKey is YNZBXMAPHYUXIU-XBXARRHUSA-N. The full InChI is InChI=1S/C6H7N5OS/c1-3(12-4(8)2-7)5-10-6(9)13-11-5/h3,8H,1H3,(H2,9,10,11)/b8-4+.
What are the key properties of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate has a molecular weight of 197.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate is sourced from PubChem (CID 174722147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).