3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde

C11H11N3OS — CID 126608204

IUPAC3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde
SMILESNc1c(C=O)sc2nc3c(cc12)CNCC3
InChIInChI=1S/C11H11N3OS/c12-10-7-3-6-4-13-2-1-8(6)14-11(7)16-9(10)5-15/h3,5,13H,1-2,4,12H2
InChIKeyVTUVPXZAWBOJJI-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.34
Rot. Bonds1

About 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde

3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde (PubChem CID 126608204) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde
PubChem CID126608204
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde
SMILESNc1c(C=O)sc2nc3c(cc12)CNCC3
InChIInChI=1S/C11H11N3OS/c12-10-7-3-6-4-13-2-1-8(6)14-11(7)16-9(10)5-15/h3,5,13H,1-2,4,12H2
InChIKeyVTUVPXZAWBOJJI-UHFFFAOYSA-N
XLogP1.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde?
The IUPAC name of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde (CID 126608204) is 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde is Nc1c(C=O)sc2nc3c(cc12)CNCC3.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde?
The InChIKey is VTUVPXZAWBOJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10-7-3-6-4-13-2-1-8(6)14-11(7)16-9(10)5-15/h3,5,13H,1-2,4,12H2.
What are the key properties of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde?
3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde has a molecular weight of 233.30 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carbaldehyde is sourced from PubChem (CID 126608204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).