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

C17H11F3N4O2S2 — CID 5087972

IUPAC3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)no1
InChIInChI=1S/C17H11F3N4O2S2/c1-7-5-11(24-26-7)23-15(25)14-13(21)12-8(17(18,19)20)6-9(22-16(12)28-14)10-3-2-4-27-10/h2-6H,21H2,1H3,(H,23,24,25)
InChIKeyIYAMCWFDQZXMBZ-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.17
Rot. Bonds3

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

3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5087972) has the molecular formula C17H11F3N4O2S2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID5087972
Molecular FormulaC17H11F3N4O2S2
Molecular Weight424.43 g/mol
Exact Mass424.03
IUPAC Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)no1
InChIInChI=1S/C17H11F3N4O2S2/c1-7-5-11(24-26-7)23-15(25)14-13(21)12-8(17(18,19)20)6-9(22-16(12)28-14)10-3-2-4-27-10/h2-6H,21H2,1H3,(H,23,24,25)
InChIKeyIYAMCWFDQZXMBZ-UHFFFAOYSA-N
XLogP5.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 5087972) is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-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-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)no1.
What is the InChIKey of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IYAMCWFDQZXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2S2/c1-7-5-11(24-26-7)23-15(25)14-13(21)12-8(17(18,19)20)6-9(22-16(12)28-14)10-3-2-4-27-10/h2-6H,21H2,1H3,(H,23,24,25).
What are the key properties of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5087972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).