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

C11H8F5N3OS — CID 115408972

IUPAC3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCC(F)F)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C11H8F5N3OS/c12-6(13)3-18-9(20)8-7(17)4-1-2-5(11(14,15)16)19-10(4)21-8/h1-2,6H,3,17H2,(H,18,20)
InChIKeyXMOLFQJVROJWDO-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.89
Rot. Bonds3

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

3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 115408972) has the molecular formula C11H8F5N3OS and a molecular weight of 325.26 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID115408972
Molecular FormulaC11H8F5N3OS
Molecular Weight325.26 g/mol
Exact Mass325.03
IUPAC Name3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCC(F)F)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C11H8F5N3OS/c12-6(13)3-18-9(20)8-7(17)4-1-2-5(11(14,15)16)19-10(4)21-8/h1-2,6H,3,17H2,(H,18,20)
InChIKeyXMOLFQJVROJWDO-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-ethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79880499
3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79879964
3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 83024536
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 115408972) is 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCC(F)F)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XMOLFQJVROJWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N3OS/c12-6(13)3-18-9(20)8-7(17)4-1-2-5(11(14,15)16)19-10(4)21-8/h1-2,6H,3,17H2,(H,18,20).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 325.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 115408972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).