3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H17N3O2S — CID 86814655

IUPAC3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1nc(CCN2C(=O)NC(C)(C)C2=O)sc1C
InChIInChI=1S/C12H17N3O2S/c1-7-8(2)18-9(13-7)5-6-15-10(16)12(3,4)14-11(15)17/h5-6H2,1-4H3,(H,14,17)
InChIKeyCBWAYVIZOMIHIF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.63
Rot. Bonds3

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

3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 86814655) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID86814655
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1nc(CCN2C(=O)NC(C)(C)C2=O)sc1C
InChIInChI=1S/C12H17N3O2S/c1-7-8(2)18-9(13-7)5-6-15-10(16)12(3,4)14-11(15)17/h5-6H2,1-4H3,(H,14,17)
InChIKeyCBWAYVIZOMIHIF-UHFFFAOYSA-N
XLogP1.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.63
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-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 86814655) is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1nc(CCN2C(=O)NC(C)(C)C2=O)sc1C.
What is the InChIKey of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is CBWAYVIZOMIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7-8(2)18-9(13-7)5-6-15-10(16)12(3,4)14-11(15)17/h5-6H2,1-4H3,(H,14,17).
What are the key properties of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 267.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 86814655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).