[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine

C19H14N2O2S2 — CID 66671300

IUPAC[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nccc2scc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H14N2O2S2/c20-18(16-2-1-7-24-16)19-17-12(9-25-15(17)5-6-21-19)11-3-4-13-14(8-11)23-10-22-13/h1-9,18H,10,20H2
InChIKeyXQGBMNFGMQXXLZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.80
Rot. Bonds3

About [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine

[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine (PubChem CID 66671300) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine
PubChem CID66671300
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nccc2scc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H14N2O2S2/c20-18(16-2-1-7-24-16)19-17-12(9-25-15(17)5-6-21-19)11-3-4-13-14(8-11)23-10-22-13/h1-9,18H,10,20H2
InChIKeyXQGBMNFGMQXXLZ-UHFFFAOYSA-N
XLogP4.80
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine 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 [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine (CID 66671300) is [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine is NC(c1cccs1)c1nccc2scc(-c3ccc4c(c3)OCO4)c12.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
The InChIKey is XQGBMNFGMQXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c20-18(16-2-1-7-24-16)19-17-12(9-25-15(17)5-6-21-19)11-3-4-13-14(8-11)23-10-22-13/h1-9,18H,10,20H2.
What are the key properties of [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine?
[3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine has a molecular weight of 366.47 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 66671300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).