5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione

C6H4ClN3O2S — CID 107124200

IUPAC5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ncc(Cl)s2)N1
InChIInChI=1S/C6H4ClN3O2S/c7-2-1-8-5(13-2)3-4(11)10-6(12)9-3/h1,3H,(H2,9,10,11,12)
InChIKeyDXCOXCQAVZFOGO-UHFFFAOYSA-N
MW217.64 g/mol
LogP0.68
Rot. Bonds1

About 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione

5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione (PubChem CID 107124200) has the molecular formula C6H4ClN3O2S and a molecular weight of 217.64 g/mol. Its IUPAC name is 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione
PubChem CID107124200
Molecular FormulaC6H4ClN3O2S
Molecular Weight217.64 g/mol
Exact Mass216.97
IUPAC Name5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ncc(Cl)s2)N1
InChIInChI=1S/C6H4ClN3O2S/c7-2-1-8-5(13-2)3-4(11)10-6(12)9-3/h1,3H,(H2,9,10,11,12)
InChIKeyDXCOXCQAVZFOGO-UHFFFAOYSA-N
XLogP0.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.64
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione (CID 107124200) is 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2ncc(Cl)s2)N1.
What is the InChIKey of 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is DXCOXCQAVZFOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2S/c7-2-1-8-5(13-2)3-4(11)10-6(12)9-3/h1,3H,(H2,9,10,11,12).
What are the key properties of 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 217.64 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-thiazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 107124200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).