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

C6H7N5OS — CID 174721936

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
SMILES[H]/N=C(\C#N)OCCc1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c7-3-4(8)12-2-1-5-10-6(9)13-11-5/h8H,1-2H2,(H2,9,10,11)/b8-4+
InChIKeyYOCSMVQPYNTFNR-XBXARRHUSA-N
MW197.22 g/mol
LogP0.18
Rot. Bonds3

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

2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate (PubChem CID 174721936) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
PubChem CID174721936
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
SMILES[H]/N=C(\C#N)OCCc1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c7-3-4(8)12-2-1-5-10-6(9)13-11-5/h8H,1-2H2,(H2,9,10,11)/b8-4+
InChIKeyYOCSMVQPYNTFNR-XBXARRHUSA-N
XLogP0.18
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.18
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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Related Compounds

3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146580
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146581
(3E)-5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 13069122
O-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl]hydroxylamine
CID 17874157
5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 54079871
(3Z)-5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 101860048
5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 139612208
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile
CID 173408378
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
CID 174722147
2-(5-Amino-1,2,4-thiadiazol-3-yl)ethanol
CID 45078915
3-(3-Methoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65094704

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate (CID 174721936) is 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate is [H]/N=C(\C#N)OCCc1nsc(N)n1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
The InChIKey is YOCSMVQPYNTFNR-XBXARRHUSA-N. The full InChI is InChI=1S/C6H7N5OS/c7-3-4(8)12-2-1-5-10-6(9)13-11-5/h8H,1-2H2,(H2,9,10,11)/b8-4+.
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate?
2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate has a molecular weight of 197.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate is sourced from PubChem (CID 174721936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).