N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine

C21H12FIN4OS — CID 68515915

IUPACN-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine
SMILESFc1cc(I)ccc1Nc1sc2ncccc2c1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H12FIN4OS/c22-15-11-13(23)8-9-16(15)25-21-17(14-7-4-10-24-20(14)29-21)19-27-26-18(28-19)12-5-2-1-3-6-12/h1-11,25H
InChIKeyGARRPXQMXOJVLV-UHFFFAOYSA-N
MW514.32 g/mol
LogP6.50
Rot. Bonds4

About N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine

N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine (PubChem CID 68515915) has the molecular formula C21H12FIN4OS and a molecular weight of 514.32 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine
PubChem CID68515915
Molecular FormulaC21H12FIN4OS
Molecular Weight514.32 g/mol
Exact Mass513.98
IUPAC NameN-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine
SMILESFc1cc(I)ccc1Nc1sc2ncccc2c1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H12FIN4OS/c22-15-11-13(23)8-9-16(15)25-21-17(14-7-4-10-24-20(14)29-21)19-27-26-18(28-19)12-5-2-1-3-6-12/h1-11,25H
InChIKeyGARRPXQMXOJVLV-UHFFFAOYSA-N
XLogP6.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.32
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine (CID 68515915) is N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine is Fc1cc(I)ccc1Nc1sc2ncccc2c1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine?
The InChIKey is GARRPXQMXOJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FIN4OS/c22-15-11-13(23)8-9-16(15)25-21-17(14-7-4-10-24-20(14)29-21)19-27-26-18(28-19)12-5-2-1-3-6-12/h1-11,25H.
What are the key properties of N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine?
N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine has a molecular weight of 514.32 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-2-amine is sourced from PubChem (CID 68515915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).