[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol

C20H21NO3S2 — CID 24745257

IUPAC[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccsc2)csc1COC1CCCCO1
InChIInChI=1S/C20H21NO3S2/c22-20(14-4-3-7-21-10-14)19-16(15-6-9-25-12-15)13-26-17(19)11-24-18-5-1-2-8-23-18/h3-4,6-7,9-10,12-13,18,20,22H,1-2,5,8,11H2
InChIKeyHOHKKGRDSPXDSE-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.00
Rot. Bonds6

About [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol

[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745257) has the molecular formula C20H21NO3S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745257
Molecular FormulaC20H21NO3S2
Molecular Weight387.53 g/mol
Exact Mass387.10
IUPAC Name[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccsc2)csc1COC1CCCCO1
InChIInChI=1S/C20H21NO3S2/c22-20(14-4-3-7-21-10-14)19-16(15-6-9-25-12-15)13-26-17(19)11-24-18-5-1-2-8-23-18/h3-4,6-7,9-10,12-13,18,20,22H,1-2,5,8,11H2
InChIKeyHOHKKGRDSPXDSE-UHFFFAOYSA-N
XLogP5.00
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol (CID 24745257) is [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccsc2)csc1COC1CCCCO1.
What is the InChIKey of [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is HOHKKGRDSPXDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S2/c22-20(14-4-3-7-21-10-14)19-16(15-6-9-25-12-15)13-26-17(19)11-24-18-5-1-2-8-23-18/h3-4,6-7,9-10,12-13,18,20,22H,1-2,5,8,11H2.
What are the key properties of [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
[2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 387.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-2-yloxymethyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).