N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide

C16H12FN3OS2 — CID 25226706

IUPACN-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1snnc1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C16H12FN3OS2/c17-12-8-4-5-9-13(12)18-14(21)10-22-16-15(19-20-23-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKeyHGHOUESZYYUYKA-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.07
Rot. Bonds5

About N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide (PubChem CID 25226706) has the molecular formula C16H12FN3OS2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide
PubChem CID25226706
Molecular FormulaC16H12FN3OS2
Molecular Weight345.42 g/mol
Exact Mass345.04
IUPAC NameN-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1snnc1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C16H12FN3OS2/c17-12-8-4-5-9-13(12)18-14(21)10-22-16-15(19-20-23-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
InChIKeyHGHOUESZYYUYKA-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide (CID 25226706) is N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide is O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide?
The InChIKey is HGHOUESZYYUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS2/c17-12-8-4-5-9-13(12)18-14(21)10-22-16-15(19-20-23-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21).
What are the key properties of N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide has a molecular weight of 345.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-phenylthiadiazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 25226706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).