1H-thieno[3,4-d]imidazole-2-carbaldehyde

C6H4N2OS — CID 45083740

IUPAC1H-thieno[3,4-d]imidazole-2-carbaldehyde
SMILESO=Cc1nc2cscc2[nH]1
InChIInChI=1S/C6H4N2OS/c9-1-6-7-4-2-10-3-5(4)8-6/h1-3H,(H,7,8)
InChIKeyXNTKSUBBYUAQHW-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.44
Rot. Bonds1

About 1H-thieno[3,4-d]imidazole-2-carbaldehyde

1H-thieno[3,4-d]imidazole-2-carbaldehyde (PubChem CID 45083740) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 1H-thieno[3,4-d]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1H-thieno[3,4-d]imidazole-2-carbaldehyde
PubChem CID45083740
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name1H-thieno[3,4-d]imidazole-2-carbaldehyde
SMILESO=Cc1nc2cscc2[nH]1
InChIInChI=1S/C6H4N2OS/c9-1-6-7-4-2-10-3-5(4)8-6/h1-3H,(H,7,8)
InChIKeyXNTKSUBBYUAQHW-UHFFFAOYSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-thieno[3,4-d]imidazole-2-carbaldehyde?
The IUPAC name of 1H-thieno[3,4-d]imidazole-2-carbaldehyde (CID 45083740) is 1H-thieno[3,4-d]imidazole-2-carbaldehyde.
What is the SMILES notation for 1H-thieno[3,4-d]imidazole-2-carbaldehyde?
The canonical SMILES for 1H-thieno[3,4-d]imidazole-2-carbaldehyde is O=Cc1nc2cscc2[nH]1.
What is the InChIKey of 1H-thieno[3,4-d]imidazole-2-carbaldehyde?
The InChIKey is XNTKSUBBYUAQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-1-6-7-4-2-10-3-5(4)8-6/h1-3H,(H,7,8).
What are the key properties of 1H-thieno[3,4-d]imidazole-2-carbaldehyde?
1H-thieno[3,4-d]imidazole-2-carbaldehyde has a molecular weight of 152.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thieno[3,4-d]imidazole-2-carbaldehyde is sourced from PubChem (CID 45083740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).