5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione

C15H15N3O2S — CID 154784664

IUPAC5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione
SMILESCc1ncc(N2C(=O)C(Cc3ccccc3)N(C)C2=O)s1
InChIInChI=1S/C15H15N3O2S/c1-10-16-9-13(21-10)18-14(19)12(17(2)15(18)20)8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKeyKQCCNDUOTRAPRS-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.46
Rot. Bonds3

About 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione

5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione (PubChem CID 154784664) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione
PubChem CID154784664
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione
SMILESCc1ncc(N2C(=O)C(Cc3ccccc3)N(C)C2=O)s1
InChIInChI=1S/C15H15N3O2S/c1-10-16-9-13(21-10)18-14(19)12(17(2)15(18)20)8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKeyKQCCNDUOTRAPRS-UHFFFAOYSA-N
XLogP2.46
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
5-benzyl-1-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 86820063
(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
CID 158048514
ethane;(3S,6R,9S,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 131676364
2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide
CID 167966063
5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
CID 119035519
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione
CID 167960826
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3082463
5-benzyl-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydropyrazol-4-yl]-1-methylimidazolidine-2,4-dione
CID 70646324

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione (CID 154784664) is 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione is Cc1ncc(N2C(=O)C(Cc3ccccc3)N(C)C2=O)s1.
What is the InChIKey of 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione?
The InChIKey is KQCCNDUOTRAPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-16-9-13(21-10)18-14(19)12(17(2)15(18)20)8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione?
5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione has a molecular weight of 301.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 154784664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).