2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

C13H8F3N5O2S2 — CID 7520021

IUPAC2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nn2c(=O)cnnc2s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3N5O2S2/c14-13(15,16)7-1-3-8(4-2-7)18-9(22)6-24-12-20-21-10(23)5-17-19-11(21)25-12/h1-5H,6H2,(H,18,22)
InChIKeyOHAVERHSYXJBKT-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.30
Rot. Bonds4

About 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 7520021) has the molecular formula C13H8F3N5O2S2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID7520021
Molecular FormulaC13H8F3N5O2S2
Molecular Weight387.37 g/mol
Exact Mass387.01
IUPAC Name2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nn2c(=O)cnnc2s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3N5O2S2/c14-13(15,16)7-1-3-8(4-2-7)18-9(22)6-24-12-20-21-10(23)5-17-19-11(21)25-12/h1-5H,6H2,(H,18,22)
InChIKeyOHAVERHSYXJBKT-UHFFFAOYSA-N
XLogP2.30
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520017
N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520018
N-(3-chlorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520025
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
N-(5-chloro-2-methylphenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520050
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27987112
7-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7520006
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 38997438
N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2746635
2-[(3-tert-butyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 45355722
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 7520021) is 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nn2c(=O)cnnc2s1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OHAVERHSYXJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O2S2/c14-13(15,16)7-1-3-8(4-2-7)18-9(22)6-24-12-20-21-10(23)5-17-19-11(21)25-12/h1-5H,6H2,(H,18,22).
What are the key properties of 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 387.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7520021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).