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

C14H11N3OS2 — CID 838737

IUPAC2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C14H11N3OS2/c18-12(9-10-5-2-1-3-6-10)15-14-17-16-13(20-14)11-7-4-8-19-11/h1-8H,9H2,(H,15,17,18)
InChIKeyOJKJXMNLKBYPOF-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.45
Rot. Bonds4

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

2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 838737) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID838737
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C14H11N3OS2/c18-12(9-10-5-2-1-3-6-10)15-14-17-16-13(20-14)11-7-4-8-19-11/h1-8H,9H2,(H,15,17,18)
InChIKeyOJKJXMNLKBYPOF-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 838737) is 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OJKJXMNLKBYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-12(9-10-5-2-1-3-6-10)15-14-17-16-13(20-14)11-7-4-8-19-11/h1-8H,9H2,(H,15,17,18).
What are the key properties of 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 301.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 838737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).