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

C17H13ClFN3OS2 — CID 5061953

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3OS2/c18-14-4-2-1-3-13(14)16-21-17(25-22-16)24-10-15(23)20-9-11-5-7-12(19)8-6-11/h1-8H,9-10H2,(H,20,23)
InChIKeyDQYPDKZNCNTVHA-UHFFFAOYSA-N
MW393.90 g/mol
LogP4.41
Rot. Bonds6

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

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 5061953) has the molecular formula C17H13ClFN3OS2 and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID5061953
Molecular FormulaC17H13ClFN3OS2
Molecular Weight393.90 g/mol
Exact Mass393.02
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3OS2/c18-14-4-2-1-3-13(14)16-21-17(25-22-16)24-10-15(23)20-9-11-5-7-12(19)8-6-11/h1-8H,9-10H2,(H,20,23)
InChIKeyDQYPDKZNCNTVHA-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 54.41
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 5061953) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DQYPDKZNCNTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS2/c18-14-4-2-1-3-13(14)16-21-17(25-22-16)24-10-15(23)20-9-11-5-7-12(19)8-6-11/h1-8H,9-10H2,(H,20,23).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 393.90 g/mol, XLogP of 4.41, 6 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 5061953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).