2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one

C8H9N3OS — CID 68697579

IUPAC2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one
SMILESCN1C(=O)C(c2cccs2)N=C1N
InChIInChI=1S/C8H9N3OS/c1-11-7(12)6(10-8(11)9)5-3-2-4-13-5/h2-4,6H,1H3,(H2,9,10)
InChIKeyOPWSWFKYSOYPEQ-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.58
Rot. Bonds1

About 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one

2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one (PubChem CID 68697579) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one
PubChem CID68697579
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one
SMILESCN1C(=O)C(c2cccs2)N=C1N
InChIInChI=1S/C8H9N3OS/c1-11-7(12)6(10-8(11)9)5-3-2-4-13-5/h2-4,6H,1H3,(H2,9,10)
InChIKeyOPWSWFKYSOYPEQ-UHFFFAOYSA-N
XLogP0.58
TPSA58.69 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one?
The IUPAC name of 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one (CID 68697579) is 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one.
What is the SMILES notation for 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one?
The canonical SMILES for 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one is CN1C(=O)C(c2cccs2)N=C1N.
What is the InChIKey of 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one?
The InChIKey is OPWSWFKYSOYPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-7(12)6(10-8(11)9)5-3-2-4-13-5/h2-4,6H,1H3,(H2,9,10).
What are the key properties of 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one?
2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-4-thiophen-2-yl-4H-imidazol-5-one is sourced from PubChem (CID 68697579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).