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

C10H11N3O2S2 — CID 3677334

IUPACN-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2cccs2)S1
InChIInChI=1S/C10H11N3O2S2/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)
InChIKeyLMUUFTSLJKNODC-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds1

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

N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide (PubChem CID 3677334) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide
PubChem CID3677334
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2cccs2)S1
InChIInChI=1S/C10H11N3O2S2/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)
InChIKeyLMUUFTSLJKNODC-UHFFFAOYSA-N
XLogP1.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.75
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-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide (CID 3677334) is N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(c2cccs2)S1.
What is the InChIKey of N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The InChIKey is LMUUFTSLJKNODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14).
What are the key properties of N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide?
N-(3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.75, 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-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 3677334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).