N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide

C12H9F3N6O2S — CID 146304689

IUPACN-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C12H9F3N6O2S/c1-16-10(22)9-17-5-18-21(9)4-6-2-3-7(24-6)8-19-11(23-20-8)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,22)
InChIKeyWTKKYZDQDVRPCA-UHFFFAOYSA-N
MW358.31 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide

N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 146304689) has the molecular formula C12H9F3N6O2S and a molecular weight of 358.31 g/mol. Its IUPAC name is N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID146304689
Molecular FormulaC12H9F3N6O2S
Molecular Weight358.31 g/mol
Exact Mass358.05
IUPAC NameN-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C12H9F3N6O2S/c1-16-10(22)9-17-5-18-21(9)4-6-2-3-7(24-6)8-19-11(23-20-8)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,22)
InChIKeyWTKKYZDQDVRPCA-UHFFFAOYSA-N
XLogP1.82
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine
CID 155074895
1-[2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-3-yl]propan-1-one
CID 158800038
N-ethyl-N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074976
N-methoxy-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 155074987
ethyl 2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate
CID 155074907
N-propan-2-yl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]imidazole-4-carboxamide
CID 155074883
2-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide;1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-N-methylpyrrole-2-carboxamide;1-[1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]-4-methoxybutan-1-one
CID 164983563
methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol
CID 167103903
N-cyclobutyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-4-carboxamide
CID 155074892
N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214
N-phenyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-4-carboxamide
CID 155075020
N-propyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074993

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide (CID 146304689) is N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide is CNC(=O)c1ncnn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WTKKYZDQDVRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6O2S/c1-16-10(22)9-17-5-18-21(9)4-6-2-3-7(24-6)8-19-11(23-20-8)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,22).
What are the key properties of N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 358.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 146304689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).