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

C11H9F2N3OS3 — CID 5300482

IUPACN-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCSc1nsc(SCC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9F2N3OS3/c1-18-10-15-11(20-16-10)19-5-9(17)14-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyHDCITCNAAAPQFV-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.27
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 5300482) has the molecular formula C11H9F2N3OS3 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID5300482
Molecular FormulaC11H9F2N3OS3
Molecular Weight333.41 g/mol
Exact Mass332.99
IUPAC NameN-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCSc1nsc(SCC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9F2N3OS3/c1-18-10-15-11(20-16-10)19-5-9(17)14-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyHDCITCNAAAPQFV-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 5300482) is N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is CSc1nsc(SCC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is HDCITCNAAAPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS3/c1-18-10-15-11(20-16-10)19-5-9(17)14-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 5300482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).