2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H17FN4OS2 — CID 2107366

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4OS2/c19-14-8-6-13(7-9-14)10-11-20-16(24)12-25-18-23-22-17(26-18)21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,24)(H,21,22)
InChIKeyWYAUPIUURPFQNZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.87
Rot. Bonds8

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2107366) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID2107366
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4OS2/c19-14-8-6-13(7-9-14)10-11-20-16(24)12-25-18-23-22-17(26-18)21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,24)(H,21,22)
InChIKeyWYAUPIUURPFQNZ-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 2107366) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CSc1nnc(Nc2ccccc2)s1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is WYAUPIUURPFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c19-14-8-6-13(7-9-14)10-11-20-16(24)12-25-18-23-22-17(26-18)21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,24)(H,21,22).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2107366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).