5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide

C6H4N6OS — CID 139612208

IUPAC5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESN#CCON=C(C#N)c1nsc(N)n1
InChIInChI=1S/C6H4N6OS/c7-1-2-13-11-4(3-8)5-10-6(9)14-12-5/h2H2,(H2,9,10,12)
InChIKeyUVHQNMBLIRQRSO-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.11
Rot. Bonds3

About 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide

5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide (PubChem CID 139612208) has the molecular formula C6H4N6OS and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide.

Molecular Properties

Compound Name5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
PubChem CID139612208
Molecular FormulaC6H4N6OS
Molecular Weight208.21 g/mol
Exact Mass208.02
IUPAC Name5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
SMILESN#CCON=C(C#N)c1nsc(N)n1
InChIInChI=1S/C6H4N6OS/c7-1-2-13-11-4(3-8)5-10-6(9)14-12-5/h2H2,(H2,9,10,12)
InChIKeyUVHQNMBLIRQRSO-UHFFFAOYSA-N
XLogP-0.11
TPSA120.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 14620477
(3E)-5-amino-N-(2,2-difluoroethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 21746233
5-amino-N-(2,2-difluoroethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 54310749
5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 54358293
(3Z)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 88147021
3-[(E)-N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 88903048
3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 123735296
(3E)-5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 13069122
(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 13069152
(3Z)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 13069153
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The IUPAC name of 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide (CID 139612208) is 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide.
What is the SMILES notation for 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The canonical SMILES for 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide is N#CCON=C(C#N)c1nsc(N)n1.
What is the InChIKey of 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
The InChIKey is UVHQNMBLIRQRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6OS/c7-1-2-13-11-4(3-8)5-10-6(9)14-12-5/h2H2,(H2,9,10,12).
What are the key properties of 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide?
5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide has a molecular weight of 208.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyanomethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide is sourced from PubChem (CID 139612208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).