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

C16H10ClF2N3OS2 — CID 7119421

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H10ClF2N3OS2/c17-11-4-2-1-3-10(11)15-21-16(25-22-15)24-8-14(23)20-13-6-5-9(18)7-12(13)19/h1-7H,8H2,(H,20,23)
InChIKeyOZDKZJSXWZJXOH-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.87
Rot. Bonds5

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

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 7119421) has the molecular formula C16H10ClF2N3OS2 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID7119421
Molecular FormulaC16H10ClF2N3OS2
Molecular Weight397.86 g/mol
Exact Mass396.99
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H10ClF2N3OS2/c17-11-4-2-1-3-10(11)15-21-16(25-22-15)24-8-14(23)20-13-6-5-9(18)7-12(13)19/h1-7H,8H2,(H,20,23)
InChIKeyOZDKZJSXWZJXOH-UHFFFAOYSA-N
XLogP4.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.87
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-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 7119421) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide is O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is OZDKZJSXWZJXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3OS2/c17-11-4-2-1-3-10(11)15-21-16(25-22-15)24-8-14(23)20-13-6-5-9(18)7-12(13)19/h1-7H,8H2,(H,20,23).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.87, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 7119421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).