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

C10H16N4O2S — CID 113251596

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C10H16N4O2S/c1-16-5-4-11-8(15)6-12-10-13-9(14-17-10)7-2-3-7/h7H,2-6H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyZFWZAHKEXUBKKY-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.59
Rot. Bonds7

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 113251596) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID113251596
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C10H16N4O2S/c1-16-5-4-11-8(15)6-12-10-13-9(14-17-10)7-2-3-7/h7H,2-6H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyZFWZAHKEXUBKKY-UHFFFAOYSA-N
XLogP0.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide (CID 113251596) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZFWZAHKEXUBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-16-5-4-11-8(15)6-12-10-13-9(14-17-10)7-2-3-7/h7H,2-6H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113251596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).