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

C16H11ClFN3OS2 — CID 4576956

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(F)c1
InChIInChI=1S/C16H11ClFN3OS2/c17-13-7-2-1-6-12(13)15-20-16(24-21-15)23-9-14(22)19-11-5-3-4-10(18)8-11/h1-8H,9H2,(H,19,22)
InChIKeyFESRHQPVBWOMCH-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.73
Rot. Bonds5

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

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 4576956) has the molecular formula C16H11ClFN3OS2 and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID4576956
Molecular FormulaC16H11ClFN3OS2
Molecular Weight379.87 g/mol
Exact Mass379.00
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(F)c1
InChIInChI=1S/C16H11ClFN3OS2/c17-13-7-2-1-6-12(13)15-20-16(24-21-15)23-9-14(22)19-11-5-3-4-10(18)8-11/h1-8H,9H2,(H,19,22)
InChIKeyFESRHQPVBWOMCH-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (CID 4576956) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(F)c1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is FESRHQPVBWOMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS2/c17-13-7-2-1-6-12(13)15-20-16(24-21-15)23-9-14(22)19-11-5-3-4-10(18)8-11/h1-8H,9H2,(H,19,22).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 379.87 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 4576956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).