3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C13H9F2N3O2S — CID 17024715

IUPAC3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1N
InChIInChI=1S/C13H9F2N3O2S/c14-11(15)6-4-5(7-2-1-3-20-7)8-9(16)10(12(17)19)21-13(8)18-6/h1-4,11H,16H2,(H2,17,19)
InChIKeyCYKOZJIKUFCRGX-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 17024715) has the molecular formula C13H9F2N3O2S and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID17024715
Molecular FormulaC13H9F2N3O2S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1N
InChIInChI=1S/C13H9F2N3O2S/c14-11(15)6-4-5(7-2-1-3-20-7)8-9(16)10(12(17)19)21-13(8)18-6/h1-4,11H,16H2,(H2,17,19)
InChIKeyCYKOZJIKUFCRGX-UHFFFAOYSA-N
XLogP3.17
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280637
6-(difluoromethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557663
6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517057
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509590
6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509284
3-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19517359
ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267236
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19416168
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19461525
3-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19455703
6-(difluoromethyl)-4-(furan-2-yl)-3-[2-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19539286
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19465980

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 17024715) is 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1N.
What is the InChIKey of 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CYKOZJIKUFCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2S/c14-11(15)6-4-5(7-2-1-3-20-7)8-9(16)10(12(17)19)21-13(8)18-6/h1-4,11H,16H2,(H2,17,19).
What are the key properties of 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 17024715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).