4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid

C6H6N2O2S — CID 174294577

IUPAC4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid
SMILESO=C(O)C1SCc2[nH]cnc21
InChIInChI=1S/C6H6N2O2S/c9-6(10)5-4-3(1-11-5)7-2-8-4/h2,5H,1H2,(H,7,8)(H,9,10)
InChIKeyLMMIRXQNKURNKX-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.78
Rot. Bonds1

About 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid

4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid (PubChem CID 174294577) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid
PubChem CID174294577
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid
SMILESO=C(O)C1SCc2[nH]cnc21
InChIInChI=1S/C6H6N2O2S/c9-6(10)5-4-3(1-11-5)7-2-8-4/h2,5H,1H2,(H,7,8)(H,9,10)
InChIKeyLMMIRXQNKURNKX-UHFFFAOYSA-N
XLogP0.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid?
The IUPAC name of 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid (CID 174294577) is 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid.
What is the SMILES notation for 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid?
The canonical SMILES for 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid is O=C(O)C1SCc2[nH]cnc21.
What is the InChIKey of 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid?
The InChIKey is LMMIRXQNKURNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c9-6(10)5-4-3(1-11-5)7-2-8-4/h2,5H,1H2,(H,7,8)(H,9,10).
What are the key properties of 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid?
4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid has a molecular weight of 170.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid is sourced from PubChem (CID 174294577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).