2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H10F2N4OS — CID 54884913

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ncn[nH]1
InChIInChI=1S/C11H10F2N4OS/c12-8-2-1-7(3-9(8)13)19-5-11(18)14-4-10-15-6-16-17-10/h1-3,6H,4-5H2,(H,14,18)(H,15,16,17)
InChIKeyZYGQFUGTFIJPNE-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.49
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884913) has the molecular formula C11H10F2N4OS and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884913
Molecular FormulaC11H10F2N4OS
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ncn[nH]1
InChIInChI=1S/C11H10F2N4OS/c12-8-2-1-7(3-9(8)13)19-5-11(18)14-4-10-15-6-16-17-10/h1-3,6H,4-5H2,(H,14,18)(H,15,16,17)
InChIKeyZYGQFUGTFIJPNE-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884913) is 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CSc1ccc(F)c(F)c1)NCc1ncn[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is ZYGQFUGTFIJPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4OS/c12-8-2-1-7(3-9(8)13)19-5-11(18)14-4-10-15-6-16-17-10/h1-3,6H,4-5H2,(H,14,18)(H,15,16,17).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 284.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).