N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C20H15F3N4OS — CID 44819096

IUPACN,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCN(C)c1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1
InChIInChI=1S/C20H15F3N4OS/c1-27(2)16-10-13(8-9-24-16)18-25-19(28-26-18)15-11-14(12-6-4-3-5-7-12)17(29-15)20(21,22)23/h3-11H,1-2H3
InChIKeySKZUTPLXKPZHLI-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.61
Rot. Bonds4

About N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 44819096) has the molecular formula C20H15F3N4OS and a molecular weight of 416.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID44819096
Molecular FormulaC20H15F3N4OS
Molecular Weight416.43 g/mol
Exact Mass416.09
IUPAC NameN,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCN(C)c1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1
InChIInChI=1S/C20H15F3N4OS/c1-27(2)16-10-13(8-9-24-16)18-25-19(28-26-18)15-11-14(12-6-4-3-5-7-12)17(29-15)20(21,22)23/h3-11H,1-2H3
InChIKeySKZUTPLXKPZHLI-UHFFFAOYSA-N
XLogP5.61
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 44819096) is N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CN(C)c1cc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)ccn1.
What is the InChIKey of N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is SKZUTPLXKPZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS/c1-27(2)16-10-13(8-9-24-16)18-25-19(28-26-18)15-11-14(12-6-4-3-5-7-12)17(29-15)20(21,22)23/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 416.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 44819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).