3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione

C9H11N3O2S — CID 103936543

IUPAC3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1cnc(C(C)N2C(=O)CNC2=O)s1
InChIInChI=1S/C9H11N3O2S/c1-5-3-10-8(15-5)6(2)12-7(13)4-11-9(12)14/h3,6H,4H2,1-2H3,(H,11,14)
InChIKeyFZTLLGIAQGZCFD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.06
Rot. Bonds2

About 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione

3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 103936543) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID103936543
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1cnc(C(C)N2C(=O)CNC2=O)s1
InChIInChI=1S/C9H11N3O2S/c1-5-3-10-8(15-5)6(2)12-7(13)4-11-9(12)14/h3,6H,4H2,1-2H3,(H,11,14)
InChIKeyFZTLLGIAQGZCFD-UHFFFAOYSA-N
XLogP1.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione (CID 103936543) is 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione is Cc1cnc(C(C)N2C(=O)CNC2=O)s1.
What is the InChIKey of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is FZTLLGIAQGZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-5-3-10-8(15-5)6(2)12-7(13)4-11-9(12)14/h3,6H,4H2,1-2H3,(H,11,14).
What are the key properties of 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 225.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103936543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).