2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

C17H11ClN2O2S — CID 66633346

IUPAC2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESC[C@@H](c1cnc2sccc2c1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClN2O2S/c1-9(13-8-19-15-12(14(13)18)6-7-23-15)20-16(21)10-4-2-3-5-11(10)17(20)22/h2-9H,1H3/t9-/m0/s1
InChIKeyOCSKYMRMLUEQOX-VIFPVBQESA-N
MW342.81 g/mol
LogP4.31
Rot. Bonds2

About 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 66633346) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID66633346
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC Name2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESC[C@@H](c1cnc2sccc2c1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClN2O2S/c1-9(13-8-19-15-12(14(13)18)6-7-23-15)20-16(21)10-4-2-3-5-11(10)17(20)22/h2-9H,1H3/t9-/m0/s1
InChIKeyOCSKYMRMLUEQOX-VIFPVBQESA-N
XLogP4.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 66633346) is 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is C[C@@H](c1cnc2sccc2c1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is OCSKYMRMLUEQOX-VIFPVBQESA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c1-9(13-8-19-15-12(14(13)18)6-7-23-15)20-16(21)10-4-2-3-5-11(10)17(20)22/h2-9H,1H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 342.81 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 66633346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).