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

C13H10F3N5O2S — CID 110385005

IUPACN-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C13H10F3N5O2S/c1-23-8-5-3-2-4-7(8)6-17-9(22)10-20-21-11(13(14,15)16)18-19-12(21)24-10/h2-5H,6H2,1H3,(H,17,22)
InChIKeyHAUDIECUFXALMV-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.14
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385005) has the molecular formula C13H10F3N5O2S and a molecular weight of 357.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385005
Molecular FormulaC13H10F3N5O2S
Molecular Weight357.32 g/mol
Exact Mass357.05
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C13H10F3N5O2S/c1-23-8-5-3-2-4-7(8)6-17-9(22)10-20-21-11(13(14,15)16)18-19-12(21)24-10/h2-5H,6H2,1H3,(H,17,22)
InChIKeyHAUDIECUFXALMV-UHFFFAOYSA-N
XLogP2.14
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384816
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
N-(2-chlorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385075
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-[(2-methoxyphenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134343
2-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylbutanamide
CID 122144681
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
1-(3-formylphenyl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59843290
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385005) is N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is COc1ccccc1CNC(=O)c1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is HAUDIECUFXALMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2S/c1-23-8-5-3-2-4-7(8)6-17-9(22)10-20-21-11(13(14,15)16)18-19-12(21)24-10/h2-5H,6H2,1H3,(H,17,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 357.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).