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

C11H15N3O2S — CID 99781601

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)(C)c1csc(CN2C(=O)CNC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)7-6-17-8(13-7)5-14-9(15)4-12-10(14)16/h6H,4-5H2,1-3H3,(H,12,16)
InChIKeyBPIXXUUJYMGZOW-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.49
Rot. Bonds2

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

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 99781601) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID99781601
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)(C)c1csc(CN2C(=O)CNC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)7-6-17-8(13-7)5-14-9(15)4-12-10(14)16/h6H,4-5H2,1-3H3,(H,12,16)
InChIKeyBPIXXUUJYMGZOW-UHFFFAOYSA-N
XLogP1.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.49
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

Hydantoin, 1-(4-ethyl-2-thiazolyl)-
CID 3060453
N-(methylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986456
N-(ethylcarbamoyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986460
6-[(4-~{Tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 75517293
3-[[4-(2-Methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 71975534
(5R)-5-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione
CID 86783081
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 95614795
1-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 96476660
(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide
CID 164641447
1-[2-[1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetyl]imidazolidin-2-one
CID 75477493
5-Tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione
CID 75498394
1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one
CID 97353399

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione (CID 99781601) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione is CC(C)(C)c1csc(CN2C(=O)CNC2=O)n1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BPIXXUUJYMGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,3)7-6-17-8(13-7)5-14-9(15)4-12-10(14)16/h6H,4-5H2,1-3H3,(H,12,16).
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 253.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99781601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).