N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide

C6H11N5OS — CID 65215060

IUPACN-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
SMILESCOCC/N=C(\NN)c1cnns1
InChIInChI=1S/C6H11N5OS/c1-12-3-2-8-6(10-7)5-4-9-11-13-5/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyNDZNKKWATGFAMU-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.61
Rot. Bonds4

About N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide

N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide (PubChem CID 65215060) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
PubChem CID65215060
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC NameN-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
SMILESCOCC/N=C(\NN)c1cnns1
InChIInChI=1S/C6H11N5OS/c1-12-3-2-8-6(10-7)5-4-9-11-13-5/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyNDZNKKWATGFAMU-UHFFFAOYSA-N
XLogP-0.61
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide (CID 65215060) is N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide is COCC/N=C(\NN)c1cnns1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide?
The InChIKey is NDZNKKWATGFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-12-3-2-8-6(10-7)5-4-9-11-13-5/h4H,2-3,7H2,1H3,(H,8,10).
What are the key properties of N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide?
N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide has a molecular weight of 201.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide is sourced from PubChem (CID 65215060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).