N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H7ClF3N3OS2 — CID 24686841

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H7ClF3N3OS2/c12-6-1-2-8(7(3-6)11(13,14)15)17-9(19)4-20-10-18-16-5-21-10/h1-3,5H,4H2,(H,17,19)
InChIKeyYREBBQJMTOZZSE-UHFFFAOYSA-N
MW353.78 g/mol
LogP3.94
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 24686841) has the molecular formula C11H7ClF3N3OS2 and a molecular weight of 353.78 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID24686841
Molecular FormulaC11H7ClF3N3OS2
Molecular Weight353.78 g/mol
Exact Mass352.97
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H7ClF3N3OS2/c12-6-1-2-8(7(3-6)11(13,14)15)17-9(19)4-20-10-18-16-5-21-10/h1-3,5H,4H2,(H,17,19)
InChIKeyYREBBQJMTOZZSE-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 24686841) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is YREBBQJMTOZZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3OS2/c12-6-1-2-8(7(3-6)11(13,14)15)17-9(19)4-20-10-18-16-5-21-10/h1-3,5H,4H2,(H,17,19).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 353.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 24686841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).