3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C19H13F3N4O2S — CID 1086352

IUPAC3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1
InChIInChI=1S/C19H13F3N4O2S/c1-9-7-13(26-28-9)25-17(27)16-15(23)14-11(19(20,21)22)8-12(24-18(14)29-16)10-5-3-2-4-6-10/h2-8H,23H2,1H3,(H,25,26,27)
InChIKeyUSOKJLSXGACNJZ-UHFFFAOYSA-N
MW418.40 g/mol
LogP5.11
Rot. Bonds3

About 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086352) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086352
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1
InChIInChI=1S/C19H13F3N4O2S/c1-9-7-13(26-28-9)25-17(27)16-15(23)14-11(19(20,21)22)8-12(24-18(14)29-16)10-5-3-2-4-6-10/h2-8H,23H2,1H3,(H,25,26,27)
InChIKeyUSOKJLSXGACNJZ-UHFFFAOYSA-N
XLogP5.11
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.40
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-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 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1086352) is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1.
What is the InChIKey of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is USOKJLSXGACNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c1-9-7-13(26-28-9)25-17(27)16-15(23)14-11(19(20,21)22)8-12(24-18(14)29-16)10-5-3-2-4-6-10/h2-8H,23H2,1H3,(H,25,26,27).
What are the key properties of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).