2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide

C8H10N4O3S — CID 91665853

IUPAC2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide
SMILESCC(=O)NC(=O)Cc1nsc(NC(C)=O)n1
InChIInChI=1S/C8H10N4O3S/c1-4(13)9-7(15)3-6-11-8(16-12-6)10-5(2)14/h3H2,1-2H3,(H,9,13,15)(H,10,11,12,14)
InChIKeyDRWYHVJIJZWMQG-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.30
Rot. Bonds3

About 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide

2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide (PubChem CID 91665853) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide.

Molecular Properties

Compound Name2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide
PubChem CID91665853
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide
SMILESCC(=O)NC(=O)Cc1nsc(NC(C)=O)n1
InChIInChI=1S/C8H10N4O3S/c1-4(13)9-7(15)3-6-11-8(16-12-6)10-5(2)14/h3H2,1-2H3,(H,9,13,15)(H,10,11,12,14)
InChIKeyDRWYHVJIJZWMQG-UHFFFAOYSA-N
XLogP-0.30
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide?
The IUPAC name of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide (CID 91665853) is 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide.
What is the SMILES notation for 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide?
The canonical SMILES for 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide is CC(=O)NC(=O)Cc1nsc(NC(C)=O)n1.
What is the InChIKey of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide?
The InChIKey is DRWYHVJIJZWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-4(13)9-7(15)3-6-11-8(16-12-6)10-5(2)14/h3H2,1-2H3,(H,9,13,15)(H,10,11,12,14).
What are the key properties of 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide?
2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide has a molecular weight of 242.26 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-1,2,4-thiadiazol-3-yl)-N-acetylacetamide is sourced from PubChem (CID 91665853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).