2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile

C6H7N5OS — CID 173408378

IUPAC2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile
SMILESN#CC=NOCCc1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c7-2-3-9-12-4-1-5-10-6(8)13-11-5/h3H,1,4H2,(H2,8,10,11)
InChIKeyONBNXLSBHZQYPO-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.19
Rot. Bonds4

About 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile

2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile (PubChem CID 173408378) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile.

Molecular Properties

Compound Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile
PubChem CID173408378
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile
SMILESN#CC=NOCCc1nsc(N)n1
InChIInChI=1S/C6H7N5OS/c7-2-3-9-12-4-1-5-10-6(8)13-11-5/h3H,1,4H2,(H2,8,10,11)
InChIKeyONBNXLSBHZQYPO-UHFFFAOYSA-N
XLogP0.19
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(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
3-[(E)-ethoxyiminomethyl]-1,2,4-thiadiazol-5-amine
CID 77520634
(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]acetamide
CID 173408324
2-(5-Amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
CID 174721936
3-[(E)-methoxyiminomethyl]-1,2,4-thiadiazol-5-amine
CID 77520632
2-[2-(5-Amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetyl chloride
CID 173395275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile?
The IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile (CID 173408378) is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile.
What is the SMILES notation for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile?
The canonical SMILES for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile is N#CC=NOCCc1nsc(N)n1.
What is the InChIKey of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile?
The InChIKey is ONBNXLSBHZQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c7-2-3-9-12-4-1-5-10-6(8)13-11-5/h3H,1,4H2,(H2,8,10,11).
What are the key properties of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile?
2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile has a molecular weight of 197.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetonitrile is sourced from PubChem (CID 173408378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).