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

C14H10F3N5O2S2 — CID 7202435

IUPAC2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc2sc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2c1=O
InChIInChI=1S/C14H10F3N5O2S2/c1-7-11(24)22-12(20-19-7)26-13(21-22)25-6-10(23)18-9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,18,23)
InChIKeyFXASTMFGYWDGCV-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.60
Rot. Bonds4

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

2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7202435) has the molecular formula C14H10F3N5O2S2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7202435
Molecular FormulaC14H10F3N5O2S2
Molecular Weight401.40 g/mol
Exact Mass401.02
IUPAC Name2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc2sc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2c1=O
InChIInChI=1S/C14H10F3N5O2S2/c1-7-11(24)22-12(20-19-7)26-13(21-22)25-6-10(23)18-9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,18,23)
InChIKeyFXASTMFGYWDGCV-UHFFFAOYSA-N
XLogP2.60
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 7196636
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 7196648
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 7197225
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-butylphenyl)acetamide
CID 7196642
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135472820
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 7196644
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135444552
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 7196638
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-difluorophenyl)acetamide
CID 7196649

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7202435) is 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1nnc2sc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2c1=O.
What is the InChIKey of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FXASTMFGYWDGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S2/c1-7-11(24)22-12(20-19-7)26-13(21-22)25-6-10(23)18-9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,18,23).
What are the key properties of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7202435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).