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

C11H13N3O2S2 — CID 2916332

IUPACN-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2cccs2)S1
InChIInChI=1S/C11H13N3O2S2/c1-7(15)12-10-13-14(8(2)16)11(3,18-10)9-5-4-6-17-9/h4-6H,1-3H3,(H,12,13,15)
InChIKeyBIPYEWPIKKNUMI-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.92
Rot. Bonds1

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

N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2916332) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2916332
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2cccs2)S1
InChIInChI=1S/C11H13N3O2S2/c1-7(15)12-10-13-14(8(2)16)11(3,18-10)9-5-4-6-17-9/h4-6H,1-3H3,(H,12,13,15)
InChIKeyBIPYEWPIKKNUMI-UHFFFAOYSA-N
XLogP1.92
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2916332) is N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(C)(c2cccs2)S1.
What is the InChIKey of N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BIPYEWPIKKNUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7(15)12-10-13-14(8(2)16)11(3,18-10)9-5-4-6-17-9/h4-6H,1-3H3,(H,12,13,15).
What are the key properties of N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).