2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

C9H17N5O2S — CID 80606199

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1nnc(N)s1
InChIInChI=1S/C9H17N5O2S/c1-14(5-7(15)11-3-4-16-2)6-8-12-13-9(10)17-8/h3-6H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyVHXKFYYTXJBZKO-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.69
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80606199) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80606199
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1nnc(N)s1
InChIInChI=1S/C9H17N5O2S/c1-14(5-7(15)11-3-4-16-2)6-8-12-13-9(10)17-8/h3-6H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyVHXKFYYTXJBZKO-UHFFFAOYSA-N
XLogP-0.69
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 80606199) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)Cc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VHXKFYYTXJBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14(5-7(15)11-3-4-16-2)6-8-12-13-9(10)17-8/h3-6H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 259.33 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80606199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).