4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde

C12H12N2OS — CID 143159940

IUPAC4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(NC3CCC3)ccnc2s1
InChIInChI=1S/C12H12N2OS/c15-7-9-6-10-11(14-8-2-1-3-8)4-5-13-12(10)16-9/h4-8H,1-3H2,(H,13,14)
InChIKeyZWDMNOTZNLANHI-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.07
Rot. Bonds3

About 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde

4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 143159940) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID143159940
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(NC3CCC3)ccnc2s1
InChIInChI=1S/C12H12N2OS/c15-7-9-6-10-11(14-8-2-1-3-8)4-5-13-12(10)16-9/h4-8H,1-3H2,(H,13,14)
InChIKeyZWDMNOTZNLANHI-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde (CID 143159940) is 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2c(NC3CCC3)ccnc2s1.
What is the InChIKey of 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is ZWDMNOTZNLANHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-7-9-6-10-11(14-8-2-1-3-8)4-5-13-12(10)16-9/h4-8H,1-3H2,(H,13,14).
What are the key properties of 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde?
4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 232.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 143159940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).