N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide

C19H11F3N4O2S — CID 58154628

IUPACN-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C19H11F3N4O2S/c20-19(21,22)28-12-4-1-3-11(9-12)15-10-24-14-6-2-5-13(16(14)25-15)17(27)26-18-23-7-8-29-18/h1-10H,(H,23,26,27)
InChIKeyHWLUSPVVVBNECH-UHFFFAOYSA-N
MW416.38 g/mol
LogP4.90
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide

N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide (PubChem CID 58154628) has the molecular formula C19H11F3N4O2S and a molecular weight of 416.38 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
PubChem CID58154628
Molecular FormulaC19H11F3N4O2S
Molecular Weight416.38 g/mol
Exact Mass416.06
IUPAC NameN-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C19H11F3N4O2S/c20-19(21,22)28-12-4-1-3-11(9-12)15-10-24-14-6-2-5-13(16(14)25-15)17(27)26-18-23-7-8-29-18/h1-10H,(H,23,26,27)
InChIKeyHWLUSPVVVBNECH-UHFFFAOYSA-N
XLogP4.90
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-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-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide (CID 58154628) is N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide is O=C(Nc1nccs1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
The InChIKey is HWLUSPVVVBNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2S/c20-19(21,22)28-12-4-1-3-11(9-12)15-10-24-14-6-2-5-13(16(14)25-15)17(27)26-18-23-7-8-29-18/h1-10H,(H,23,26,27).
What are the key properties of N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 58154628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).