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

C17H13F2N3OS2 — CID 4569816

IUPACN-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3F)n2)c1
InChIInChI=1S/C17H13F2N3OS2/c1-10-3-2-4-11(7-10)16-21-17(25-22-16)24-9-15(23)20-14-6-5-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyOVRVAYXNCURQOV-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.52
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 4569816) has the molecular formula C17H13F2N3OS2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID4569816
Molecular FormulaC17H13F2N3OS2
Molecular Weight377.44 g/mol
Exact Mass377.05
IUPAC NameN-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3F)n2)c1
InChIInChI=1S/C17H13F2N3OS2/c1-10-3-2-4-11(7-10)16-21-17(25-22-16)24-9-15(23)20-14-6-5-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyOVRVAYXNCURQOV-UHFFFAOYSA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 4569816) is N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3F)n2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is OVRVAYXNCURQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS2/c1-10-3-2-4-11(7-10)16-21-17(25-22-16)24-9-15(23)20-14-6-5-12(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4569816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).