3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H12Cl2F3N3OS — CID 2968252

IUPAC3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1sc2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H12Cl2F3N3OS/c1-2-24-15(26)14-13(23)12-9(17(20,21)22)6-11(25-16(12)27-14)8-4-3-7(18)5-10(8)19/h3-6H,2,23H2,1H3,(H,24,26)
InChIKeySGFALCLUTDHTNW-UHFFFAOYSA-N
MW434.27 g/mol
LogP5.62
Rot. Bonds3

About 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2968252) has the molecular formula C17H12Cl2F3N3OS and a molecular weight of 434.27 g/mol. Its IUPAC name is 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID2968252
Molecular FormulaC17H12Cl2F3N3OS
Molecular Weight434.27 g/mol
Exact Mass433.00
IUPAC Name3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1sc2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H12Cl2F3N3OS/c1-2-24-15(26)14-13(23)12-9(17(20,21)22)6-11(25-16(12)27-14)8-4-3-7(18)5-10(8)19/h3-6H,2,23H2,1H3,(H,24,26)
InChIKeySGFALCLUTDHTNW-UHFFFAOYSA-N
XLogP5.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.27
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 4251194
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
CID 7349473
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23743020
3-amino-N-ethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79880499
methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462
3-amino-N-(4-ethoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1341827
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2254947
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 2968252) is 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCNC(=O)c1sc2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SGFALCLUTDHTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3OS/c1-2-24-15(26)14-13(23)12-9(17(20,21)22)6-11(25-16(12)27-14)8-4-3-7(18)5-10(8)19/h3-6H,2,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.27 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2968252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).