2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H11N3O2S — CID 903450

IUPAC2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-10(15)13-11-14-12-7-17-11/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyBWVXLKIIZHLGMK-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 903450) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID903450
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-10(15)13-11-14-12-7-17-11/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyBWVXLKIIZHLGMK-UHFFFAOYSA-N
XLogP1.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 903450) is 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BWVXLKIIZHLGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-10(15)13-11-14-12-7-17-11/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 249.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 903450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).