2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde

C11H11N3OS — CID 66996841

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde
SMILESO=Cn1ccnc1N1CCc2sccc2C1
InChIInChI=1S/C11H11N3OS/c15-8-14-5-3-12-11(14)13-4-1-10-9(7-13)2-6-16-10/h2-3,5-6,8H,1,4,7H2
InChIKeyJPNNKAIQRVSQOX-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.55
Rot. Bonds2

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde (PubChem CID 66996841) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde
PubChem CID66996841
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde
SMILESO=Cn1ccnc1N1CCc2sccc2C1
InChIInChI=1S/C11H11N3OS/c15-8-14-5-3-12-11(14)13-4-1-10-9(7-13)2-6-16-10/h2-3,5-6,8H,1,4,7H2
InChIKeyJPNNKAIQRVSQOX-UHFFFAOYSA-N
XLogP1.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
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 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde (CID 66996841) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde is O=Cn1ccnc1N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde?
The InChIKey is JPNNKAIQRVSQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-8-14-5-3-12-11(14)13-4-1-10-9(7-13)2-6-16-10/h2-3,5-6,8H,1,4,7H2.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde has a molecular weight of 233.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)imidazole-1-carbaldehyde is sourced from PubChem (CID 66996841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).