2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H14F3N3O2S2 — CID 18554694

IUPAC2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H14F3N3O2S2/c1-26-12-8-6-11(7-9-12)16-23-17(28-24-16)27-10-15(25)22-14-5-3-2-4-13(14)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyZDWCIDZHDHNAPK-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.96
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18554694) has the molecular formula C18H14F3N3O2S2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID18554694
Molecular FormulaC18H14F3N3O2S2
Molecular Weight425.46 g/mol
Exact Mass425.05
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H14F3N3O2S2/c1-26-12-8-6-11(7-9-12)16-23-17(28-24-16)27-10-15(25)22-14-5-3-2-4-13(14)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyZDWCIDZHDHNAPK-UHFFFAOYSA-N
XLogP4.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067092
N-(3-fluorophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 3701243
methyl 4-[[2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]benzoate
CID 7119436
2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 15995888
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16840642
2-(thiatriazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43815706
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16518917
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067091
2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4138840

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 18554694) is 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZDWCIDZHDHNAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S2/c1-26-12-8-6-11(7-9-12)16-23-17(28-24-16)27-10-15(25)22-14-5-3-2-4-13(14)18(19,20)21/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 425.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18554694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).