2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol

C18H12N2OS2 — CID 134962418

IUPAC2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol
SMILESOc1c(-c2ccccc2)sc2c(Sc3ccncc3)ccnc12
InChIInChI=1S/C18H12N2OS2/c21-16-15-18(23-17(16)12-4-2-1-3-5-12)14(8-11-20-15)22-13-6-9-19-10-7-13/h1-11,21H
InChIKeyZMTBJHSLGOCLTP-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.22
Rot. Bonds3

About 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol

2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol (PubChem CID 134962418) has the molecular formula C18H12N2OS2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol.

Molecular Properties

Compound Name2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol
PubChem CID134962418
Molecular FormulaC18H12N2OS2
Molecular Weight336.44 g/mol
Exact Mass336.04
IUPAC Name2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol
SMILESOc1c(-c2ccccc2)sc2c(Sc3ccncc3)ccnc12
InChIInChI=1S/C18H12N2OS2/c21-16-15-18(23-17(16)12-4-2-1-3-5-12)14(8-11-20-15)22-13-6-9-19-10-7-13/h1-11,21H
InChIKeyZMTBJHSLGOCLTP-UHFFFAOYSA-N
XLogP5.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol?
The IUPAC name of 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol (CID 134962418) is 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol.
What is the SMILES notation for 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol?
The canonical SMILES for 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol is Oc1c(-c2ccccc2)sc2c(Sc3ccncc3)ccnc12.
What is the InChIKey of 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol?
The InChIKey is ZMTBJHSLGOCLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS2/c21-16-15-18(23-17(16)12-4-2-1-3-5-12)14(8-11-20-15)22-13-6-9-19-10-7-13/h1-11,21H.
What are the key properties of 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol?
2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol has a molecular weight of 336.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-pyridin-4-ylsulfanylthieno[3,2-b]pyridin-3-ol is sourced from PubChem (CID 134962418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).