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

C16H13N3OS2 — CID 2862025

IUPAC2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Nc1nncs1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3OS2/c20-15(18-16-19-17-11-21-16)14(12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-11,14H,(H,18,19,20)
InChIKeyXZHYNIDBYPHYSS-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.01
Rot. Bonds5

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

2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2862025) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2862025
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Nc1nncs1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H13N3OS2/c20-15(18-16-19-17-11-21-16)14(12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-11,14H,(H,18,19,20)
InChIKeyXZHYNIDBYPHYSS-UHFFFAOYSA-N
XLogP4.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 2862025) is 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Nc1nncs1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XZHYNIDBYPHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-15(18-16-19-17-11-21-16)14(12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-11,14H,(H,18,19,20).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2862025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).