3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H16F3N3OS2 — CID 1157651

IUPAC3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H16F3N3OS2/c1-3-23(4-2)16(24)14-13(21)12-9(17(18,19)20)8-10(22-15(12)26-14)11-6-5-7-25-11/h5-8H,3-4,21H2,1-2H3
InChIKeyVZKFPJQPYTYYIB-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.11
Rot. Bonds4

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

3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1157651) has the molecular formula C17H16F3N3OS2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1157651
Molecular FormulaC17H16F3N3OS2
Molecular Weight399.46 g/mol
Exact Mass399.07
IUPAC Name3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H16F3N3OS2/c1-3-23(4-2)16(24)14-13(21)12-9(17(18,19)20)8-10(22-15(12)26-14)11-6-5-7-25-11/h5-8H,3-4,21H2,1-2H3
InChIKeyVZKFPJQPYTYYIB-UHFFFAOYSA-N
XLogP5.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1157651) is 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VZKFPJQPYTYYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3OS2/c1-3-23(4-2)16(24)14-13(21)12-9(17(18,19)20)8-10(22-15(12)26-14)11-6-5-7-25-11/h5-8H,3-4,21H2,1-2H3.
What are the key properties of 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1157651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).