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

C8H13N5O3S2 — CID 16524249

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H13N5O3S2/c1-16-3-2-10-7(15)11-5(14)4-17-8-13-12-6(9)18-8/h2-4H2,1H3,(H2,9,12)(H2,10,11,14,15)
InChIKeyYLNAFRBKUGLLFC-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.32
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 16524249) has the molecular formula C8H13N5O3S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID16524249
Molecular FormulaC8H13N5O3S2
Molecular Weight291.36 g/mol
Exact Mass291.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H13N5O3S2/c1-16-3-2-10-7(15)11-5(14)4-17-8-13-12-6(9)18-8/h2-4H2,1H3,(H2,9,12)(H2,10,11,14,15)
InChIKeyYLNAFRBKUGLLFC-UHFFFAOYSA-N
XLogP-0.32
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide (CID 16524249) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is YLNAFRBKUGLLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S2/c1-16-3-2-10-7(15)11-5(14)4-17-8-13-12-6(9)18-8/h2-4H2,1H3,(H2,9,12)(H2,10,11,14,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 291.36 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 16524249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).