2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one

C7H8N4OS — CID 136706809

IUPAC2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
SMILESC/N=C1\NC(=O)C(c2cncs2)N1
InChIInChI=1S/C7H8N4OS/c1-8-7-10-5(6(12)11-7)4-2-9-3-13-4/h2-3,5H,1H3,(H2,8,10,11,12)
InChIKeyBPHXSNIQPPTOPM-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.11
Rot. Bonds1

About 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one

2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one (PubChem CID 136706809) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
PubChem CID136706809
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one
SMILESC/N=C1\NC(=O)C(c2cncs2)N1
InChIInChI=1S/C7H8N4OS/c1-8-7-10-5(6(12)11-7)4-2-9-3-13-4/h2-3,5H,1H3,(H2,8,10,11,12)
InChIKeyBPHXSNIQPPTOPM-UHFFFAOYSA-N
XLogP-0.11
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one?
The IUPAC name of 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one (CID 136706809) is 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one.
What is the SMILES notation for 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one?
The canonical SMILES for 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one is C/N=C1\NC(=O)C(c2cncs2)N1.
What is the InChIKey of 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one?
The InChIKey is BPHXSNIQPPTOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-8-7-10-5(6(12)11-7)4-2-9-3-13-4/h2-3,5H,1H3,(H2,8,10,11,12).
What are the key properties of 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one?
2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one has a molecular weight of 196.24 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-5-(1,3-thiazol-5-yl)imidazolidin-4-one is sourced from PubChem (CID 136706809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).