N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C11H5ClF3N5OS — CID 110385075

IUPACN-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C11H5ClF3N5OS/c12-5-3-1-2-4-6(5)16-7(21)8-19-20-9(11(13,14)15)17-18-10(20)22-8/h1-4H,(H,16,21)
InChIKeyXFMNHIRBZPDDIN-UHFFFAOYSA-N
MW347.71 g/mol
LogP3.11
Rot. Bonds2

About N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385075) has the molecular formula C11H5ClF3N5OS and a molecular weight of 347.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385075
Molecular FormulaC11H5ClF3N5OS
Molecular Weight347.71 g/mol
Exact Mass346.99
IUPAC NameN-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C11H5ClF3N5OS/c12-5-3-1-2-4-6(5)16-7(21)8-19-20-9(11(13,14)15)17-18-10(20)22-8/h1-4H,(H,16,21)
InChIKeyXFMNHIRBZPDDIN-UHFFFAOYSA-N
XLogP3.11
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-quinolin-8-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385118
N-(2,6-difluorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385136
N-(3-bromophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385115
methyl 4-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl]amino]benzoate
CID 110385107
2-chloro-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzamide
CID 110401971
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385005
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384949
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
N-benzyl-N-ethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385008
N-(2-tert-butylphenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385252
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
N-(2-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385269

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385075) is N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(Nc1ccccc1Cl)c1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is XFMNHIRBZPDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N5OS/c12-5-3-1-2-4-6(5)16-7(21)8-19-20-9(11(13,14)15)17-18-10(20)22-8/h1-4H,(H,16,21).
What are the key properties of N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 347.71 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).