1-methyl-3H-thieno[2,3-d]imidazol-2-one

C6H6N2OS — CID 15470967

IUPAC1-methyl-3H-thieno[2,3-d]imidazol-2-one
SMILESCn1c(=O)[nH]c2sccc21
InChIInChI=1S/C6H6N2OS/c1-8-4-2-3-10-5(4)7-6(8)9/h2-3H,1H3,(H,7,9)
InChIKeySKYSKNXOGXDPKV-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.93
Rot. Bonds

About 1-methyl-3H-thieno[2,3-d]imidazol-2-one

1-methyl-3H-thieno[2,3-d]imidazol-2-one (PubChem CID 15470967) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-methyl-3H-thieno[2,3-d]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3H-thieno[2,3-d]imidazol-2-one
PubChem CID15470967
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name1-methyl-3H-thieno[2,3-d]imidazol-2-one
SMILESCn1c(=O)[nH]c2sccc21
InChIInChI=1S/C6H6N2OS/c1-8-4-2-3-10-5(4)7-6(8)9/h2-3H,1H3,(H,7,9)
InChIKeySKYSKNXOGXDPKV-UHFFFAOYSA-N
XLogP0.93
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-thieno[2,3-d]imidazol-2-one?
The IUPAC name of 1-methyl-3H-thieno[2,3-d]imidazol-2-one (CID 15470967) is 1-methyl-3H-thieno[2,3-d]imidazol-2-one.
What is the SMILES notation for 1-methyl-3H-thieno[2,3-d]imidazol-2-one?
The canonical SMILES for 1-methyl-3H-thieno[2,3-d]imidazol-2-one is Cn1c(=O)[nH]c2sccc21.
What is the InChIKey of 1-methyl-3H-thieno[2,3-d]imidazol-2-one?
The InChIKey is SKYSKNXOGXDPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-8-4-2-3-10-5(4)7-6(8)9/h2-3H,1H3,(H,7,9).
What are the key properties of 1-methyl-3H-thieno[2,3-d]imidazol-2-one?
1-methyl-3H-thieno[2,3-d]imidazol-2-one has a molecular weight of 154.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-thieno[2,3-d]imidazol-2-one is sourced from PubChem (CID 15470967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).