1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one

C7H10N4OS — CID 164649269

IUPAC1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one
SMILESNN1CCN(Cc2ccns2)C1=O
InChIInChI=1S/C7H10N4OS/c8-11-4-3-10(7(11)12)5-6-1-2-9-13-6/h1-2H,3-5,8H2
InChIKeyDYKJKOQYYHHEQW-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.25
Rot. Bonds2

About 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one

1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one (PubChem CID 164649269) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one
PubChem CID164649269
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one
SMILESNN1CCN(Cc2ccns2)C1=O
InChIInChI=1S/C7H10N4OS/c8-11-4-3-10(7(11)12)5-6-1-2-9-13-6/h1-2H,3-5,8H2
InChIKeyDYKJKOQYYHHEQW-UHFFFAOYSA-N
XLogP0.25
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one (CID 164649269) is 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one is NN1CCN(Cc2ccns2)C1=O.
What is the InChIKey of 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one?
The InChIKey is DYKJKOQYYHHEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-11-4-3-10(7(11)12)5-6-1-2-9-13-6/h1-2H,3-5,8H2.
What are the key properties of 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one?
1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one has a molecular weight of 198.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2-thiazol-5-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 164649269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).