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

C8H9N3O2S — CID 103601183

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)CNC2=O)cs1
InChIInChI=1S/C8H9N3O2S/c1-5-10-6(4-14-5)3-11-7(12)2-9-8(11)13/h4H,2-3H2,1H3,(H,9,13)
InChIKeyHQUGLBAZZNWKFJ-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.50
Rot. Bonds2

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

3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 103601183) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID103601183
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)CNC2=O)cs1
InChIInChI=1S/C8H9N3O2S/c1-5-10-6(4-14-5)3-11-7(12)2-9-8(11)13/h4H,2-3H2,1H3,(H,9,13)
InChIKeyHQUGLBAZZNWKFJ-UHFFFAOYSA-N
XLogP0.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112599943
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045871
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425223
6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 114140334
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 141198028
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
3-[(5-methylthiophen-2-yl)methyl]imidazolidine-2,4-dione
CID 103621020
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 103601183) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1nc(CN2C(=O)CNC2=O)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is HQUGLBAZZNWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-10-6(4-14-5)3-11-7(12)2-9-8(11)13/h4H,2-3H2,1H3,(H,9,13).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 211.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103601183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).