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

C20H14F3N3OS2 — CID 1040522

IUPAC3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1
InChIInChI=1S/C20H14F3N3OS2/c1-10-4-6-11(7-5-10)25-18(27)17-16(24)15-12(20(21,22)23)9-13(26-19(15)29-17)14-3-2-8-28-14/h2-9H,24H2,1H3,(H,25,27)
InChIKeyZNTURIUEWBRILG-UHFFFAOYSA-N
MW433.48 g/mol
LogP6.19
Rot. Bonds3

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

3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1040522) has the molecular formula C20H14F3N3OS2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1040522
Molecular FormulaC20H14F3N3OS2
Molecular Weight433.48 g/mol
Exact Mass433.05
IUPAC Name3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1
InChIInChI=1S/C20H14F3N3OS2/c1-10-4-6-11(7-5-10)25-18(27)17-16(24)15-12(20(21,22)23)9-13(26-19(15)29-17)14-3-2-8-28-14/h2-9H,24H2,1H3,(H,25,27)
InChIKeyZNTURIUEWBRILG-UHFFFAOYSA-N
XLogP6.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1040522) is 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1.
What is the InChIKey of 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZNTURIUEWBRILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS2/c1-10-4-6-11(7-5-10)25-18(27)17-16(24)15-12(20(21,22)23)9-13(26-19(15)29-17)14-3-2-8-28-14/h2-9H,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 6.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1040522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).