2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one

C8H9N3OS — CID 167570492

IUPAC2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one
SMILESC=C1CSC(C2=NCN=C2)C(=O)N1
InChIInChI=1S/C8H9N3OS/c1-5-3-13-7(8(12)11-5)6-2-9-4-10-6/h2,7H,1,3-4H2,(H,11,12)
InChIKeyBUIARUUYZCATGH-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.21
Rot. Bonds1

About 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one

2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one (PubChem CID 167570492) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one.

Molecular Properties

Compound Name2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one
PubChem CID167570492
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one
SMILESC=C1CSC(C2=NCN=C2)C(=O)N1
InChIInChI=1S/C8H9N3OS/c1-5-3-13-7(8(12)11-5)6-2-9-4-10-6/h2,7H,1,3-4H2,(H,11,12)
InChIKeyBUIARUUYZCATGH-UHFFFAOYSA-N
XLogP0.21
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one?
The IUPAC name of 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one (CID 167570492) is 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one.
What is the SMILES notation for 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one?
The canonical SMILES for 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one is C=C1CSC(C2=NCN=C2)C(=O)N1.
What is the InChIKey of 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one?
The InChIKey is BUIARUUYZCATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-3-13-7(8(12)11-5)6-2-9-4-10-6/h2,7H,1,3-4H2,(H,11,12).
What are the key properties of 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one?
2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one has a molecular weight of 195.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-imidazol-4-yl)-5-methylidenethiomorpholin-3-one is sourced from PubChem (CID 167570492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).