5-methoxy-1H-thieno[2,3-d]imidazole

C6H6N2OS — CID 69289570

IUPAC5-methoxy-1H-thieno[2,3-d]imidazole
SMILESCOc1cc2[nH]cnc2s1
InChIInChI=1S/C6H6N2OS/c1-9-5-2-4-6(10-5)8-3-7-4/h2-3H,1H3,(H,7,8)
InChIKeyIHCDOLUTHOWEKG-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.63
Rot. Bonds1

About 5-methoxy-1H-thieno[2,3-d]imidazole

5-methoxy-1H-thieno[2,3-d]imidazole (PubChem CID 69289570) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-methoxy-1H-thieno[2,3-d]imidazole.

Molecular Properties

Compound Name5-methoxy-1H-thieno[2,3-d]imidazole
PubChem CID69289570
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name5-methoxy-1H-thieno[2,3-d]imidazole
SMILESCOc1cc2[nH]cnc2s1
InChIInChI=1S/C6H6N2OS/c1-9-5-2-4-6(10-5)8-3-7-4/h2-3H,1H3,(H,7,8)
InChIKeyIHCDOLUTHOWEKG-UHFFFAOYSA-N
XLogP1.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-thieno[2,3-d]imidazole?
The IUPAC name of 5-methoxy-1H-thieno[2,3-d]imidazole (CID 69289570) is 5-methoxy-1H-thieno[2,3-d]imidazole.
What is the SMILES notation for 5-methoxy-1H-thieno[2,3-d]imidazole?
The canonical SMILES for 5-methoxy-1H-thieno[2,3-d]imidazole is COc1cc2[nH]cnc2s1.
What is the InChIKey of 5-methoxy-1H-thieno[2,3-d]imidazole?
The InChIKey is IHCDOLUTHOWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-9-5-2-4-6(10-5)8-3-7-4/h2-3H,1H3,(H,7,8).
What are the key properties of 5-methoxy-1H-thieno[2,3-d]imidazole?
5-methoxy-1H-thieno[2,3-d]imidazole has a molecular weight of 154.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-thieno[2,3-d]imidazole is sourced from PubChem (CID 69289570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).