5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one

C5H4N2O2S — CID 69291689

IUPAC5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one
SMILESO=c1[nH]c2cc(O)sc2[nH]1
InChIInChI=1S/C5H4N2O2S/c8-3-1-2-4(10-3)7-5(9)6-2/h1,8H,(H2,6,7,9)
InChIKeyCCCLNOVHQMPKJA-UHFFFAOYSA-N
MW156.17 g/mol
LogP0.62
Rot. Bonds

About 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one

5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one (PubChem CID 69291689) has the molecular formula C5H4N2O2S and a molecular weight of 156.17 g/mol. Its IUPAC name is 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one
PubChem CID69291689
Molecular FormulaC5H4N2O2S
Molecular Weight156.17 g/mol
Exact Mass156.00
IUPAC Name5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one
SMILESO=c1[nH]c2cc(O)sc2[nH]1
InChIInChI=1S/C5H4N2O2S/c8-3-1-2-4(10-3)7-5(9)6-2/h1,8H,(H2,6,7,9)
InChIKeyCCCLNOVHQMPKJA-UHFFFAOYSA-N
XLogP0.62
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one?
The IUPAC name of 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one (CID 69291689) is 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one.
What is the SMILES notation for 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one?
The canonical SMILES for 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one is O=c1[nH]c2cc(O)sc2[nH]1.
What is the InChIKey of 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one?
The InChIKey is CCCLNOVHQMPKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S/c8-3-1-2-4(10-3)7-5(9)6-2/h1,8H,(H2,6,7,9).
What are the key properties of 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one?
5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one has a molecular weight of 156.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dihydrothieno[2,3-d]imidazol-2-one is sourced from PubChem (CID 69291689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).