N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide

C11H12N4O2S — CID 3154245

IUPACN-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccccn2)S1
InChIInChI=1S/C11H12N4O2S/c1-7(16)13-11-14-15(8(2)17)10(18-11)9-5-3-4-6-12-9/h3-6,10H,1-2H3,(H,13,14,16)
InChIKeyLPCSWLDMVXTTIX-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.08
Rot. Bonds1

About N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide

N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide (PubChem CID 3154245) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide
PubChem CID3154245
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccccn2)S1
InChIInChI=1S/C11H12N4O2S/c1-7(16)13-11-14-15(8(2)17)10(18-11)9-5-3-4-6-12-9/h3-6,10H,1-2H3,(H,13,14,16)
InChIKeyLPCSWLDMVXTTIX-UHFFFAOYSA-N
XLogP1.08
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide (CID 3154245) is N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccccn2)S1.
What is the InChIKey of N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The InChIKey is LPCSWLDMVXTTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7(16)13-11-14-15(8(2)17)10(18-11)9-5-3-4-6-12-9/h3-6,10H,1-2H3,(H,13,14,16).
What are the key properties of N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 3154245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).