5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one

C14H11FN2OS — CID 112556954

IUPAC5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESNc1ccc(Cn2ccc3sccc3c2=O)c(F)c1
InChIInChI=1S/C14H11FN2OS/c15-12-7-10(16)2-1-9(12)8-17-5-3-13-11(14(17)18)4-6-19-13/h1-7H,8,16H2
InChIKeyGOKPZTBOOSJSPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.83
Rot. Bonds2

About 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one

5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 112556954) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID112556954
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESNc1ccc(Cn2ccc3sccc3c2=O)c(F)c1
InChIInChI=1S/C14H11FN2OS/c15-12-7-10(16)2-1-9(12)8-17-5-3-13-11(14(17)18)4-6-19-13/h1-7H,8,16H2
InChIKeyGOKPZTBOOSJSPE-UHFFFAOYSA-N
XLogP2.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (CID 112556954) is 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is Nc1ccc(Cn2ccc3sccc3c2=O)c(F)c1.
What is the InChIKey of 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is GOKPZTBOOSJSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-12-7-10(16)2-1-9(12)8-17-5-3-13-11(14(17)18)4-6-19-13/h1-7H,8,16H2.
What are the key properties of 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 274.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112556954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).