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

C18H12F3N5O2S — CID 1086478

IUPAC3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1coc(NC(=O)c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2N)n1
InChIInChI=1S/C18H12F3N5O2S/c1-8-7-28-17(24-8)26-15(27)14-13(22)12-10(18(19,20)21)6-11(25-16(12)29-14)9-2-4-23-5-3-9/h2-7H,22H2,1H3,(H,24,26,27)
InChIKeyGOAOILSPDRMNMG-UHFFFAOYSA-N
MW419.39 g/mol
LogP4.51
Rot. Bonds3

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

3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086478) has the molecular formula C18H12F3N5O2S and a molecular weight of 419.39 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086478
Molecular FormulaC18H12F3N5O2S
Molecular Weight419.39 g/mol
Exact Mass419.07
IUPAC Name3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1coc(NC(=O)c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2N)n1
InChIInChI=1S/C18H12F3N5O2S/c1-8-7-28-17(24-8)26-15(27)14-13(22)12-10(18(19,20)21)6-11(25-16(12)29-14)9-2-4-23-5-3-9/h2-7H,22H2,1H3,(H,24,26,27)
InChIKeyGOAOILSPDRMNMG-UHFFFAOYSA-N
XLogP4.51
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-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-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1086478) is 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1coc(NC(=O)c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2N)n1.
What is the InChIKey of 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GOAOILSPDRMNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2S/c1-8-7-28-17(24-8)26-15(27)14-13(22)12-10(18(19,20)21)6-11(25-16(12)29-14)9-2-4-23-5-3-9/h2-7H,22H2,1H3,(H,24,26,27).
What are the key properties of 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 419.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-1,3-oxazol-2-yl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).