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

C14H21N3O2S — CID 86783096

IUPAC(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCCc1cnc(CCN2C(=O)N[C@@H](C(C)(C)C)C2=O)s1
InChIInChI=1S/C14H21N3O2S/c1-5-9-8-15-10(20-9)6-7-17-12(18)11(14(2,3)4)16-13(17)19/h8,11H,5-7H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyVQOXIODFJSEKJM-LLVKDONJSA-N
MW295.41 g/mol
LogP2.21
Rot. Bonds4

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

(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 86783096) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID86783096
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCCc1cnc(CCN2C(=O)N[C@@H](C(C)(C)C)C2=O)s1
InChIInChI=1S/C14H21N3O2S/c1-5-9-8-15-10(20-9)6-7-17-12(18)11(14(2,3)4)16-13(17)19/h8,11H,5-7H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyVQOXIODFJSEKJM-LLVKDONJSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.21
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

1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71981647
3-[2-(2-Methyl-1,3-thiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447188
(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819563
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
CID 119048108
(2S)-2-(carbamoylamino)-N,3,3-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 124874607
1-(3,3-Dimethylcyclobutyl)-1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 137997532
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104214010
(5-Tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone
CID 58523538
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 68166232
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 91487454
5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
CID 123434344

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione (CID 86783096) is (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione is CCc1cnc(CCN2C(=O)N[C@@H](C(C)(C)C)C2=O)s1.
What is the InChIKey of (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is VQOXIODFJSEKJM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-9-8-15-10(20-9)6-7-17-12(18)11(14(2,3)4)16-13(17)19/h8,11H,5-7H2,1-4H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione?
(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 295.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86783096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).