N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide

C17H13F3N6O2S — CID 167291245

IUPACN-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccc2c1cc(-c1noc(CNC(=O)c3cncs3)n1)n2CC(F)(F)F
InChIInChI=1S/C17H13F3N6O2S/c18-17(19,20)7-26-11-3-1-2-10(21)9(11)4-12(26)15-24-14(28-25-15)6-23-16(27)13-5-22-8-29-13/h1-5,8H,6-7,21H2,(H,23,27)
InChIKeyDYSRIHKEUWPASA-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.22
Rot. Bonds5

About N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 167291245) has the molecular formula C17H13F3N6O2S and a molecular weight of 422.39 g/mol. Its IUPAC name is N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID167291245
Molecular FormulaC17H13F3N6O2S
Molecular Weight422.39 g/mol
Exact Mass422.08
IUPAC NameN-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccc2c1cc(-c1noc(CNC(=O)c3cncs3)n1)n2CC(F)(F)F
InChIInChI=1S/C17H13F3N6O2S/c18-17(19,20)7-26-11-3-1-2-10(21)9(11)4-12(26)15-24-14(28-25-15)6-23-16(27)13-5-22-8-29-13/h1-5,8H,6-7,21H2,(H,23,27)
InChIKeyDYSRIHKEUWPASA-UHFFFAOYSA-N
XLogP3.22
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide 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-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 167291245) is N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide is Nc1cccc2c1cc(-c1noc(CNC(=O)c3cncs3)n1)n2CC(F)(F)F.
What is the InChIKey of N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DYSRIHKEUWPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2S/c18-17(19,20)7-26-11-3-1-2-10(21)9(11)4-12(26)15-24-14(28-25-15)6-23-16(27)13-5-22-8-29-13/h1-5,8H,6-7,21H2,(H,23,27).
What are the key properties of N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 422.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167291245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).