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

C11H14F3N5OS — CID 110385046

IUPACN,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCCN(CCC)C(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C11H14F3N5OS/c1-3-5-18(6-4-2)8(20)7-17-19-9(11(12,13)14)15-16-10(19)21-7/h3-6H2,1-2H3
InChIKeyADUFYXVEZJVXJK-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.47
Rot. Bonds5

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

N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385046) has the molecular formula C11H14F3N5OS and a molecular weight of 321.33 g/mol. Its IUPAC name is N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385046
Molecular FormulaC11H14F3N5OS
Molecular Weight321.33 g/mol
Exact Mass321.09
IUPAC NameN,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCCN(CCC)C(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C11H14F3N5OS/c1-3-5-18(6-4-2)8(20)7-17-19-9(11(12,13)14)15-16-10(19)21-7/h3-6H2,1-2H3
InChIKeyADUFYXVEZJVXJK-UHFFFAOYSA-N
XLogP2.47
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385034
N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384657
N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384844
1,1-dimethyl-3-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]urea
CID 110401897
methyl 4-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl]amino]benzoate
CID 110385107
ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclobutane-1-carboxylate
CID 114352719
N-(3-bromophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385115
2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114352773
2-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]butan-1-amine
CID 114352887
N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide
CID 110401999
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide
CID 110401899
2-chloro-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzamide
CID 110401971

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385046) is N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCCN(CCC)C(=O)c1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is ADUFYXVEZJVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5OS/c1-3-5-18(6-4-2)8(20)7-17-19-9(11(12,13)14)15-16-10(19)21-7/h3-6H2,1-2H3.
What are the key properties of N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).