(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

C20H15Cl2N3O2S — CID 2122122

IUPAC(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C20H15Cl2N3O2S/c1-20(15-8-7-13(21)9-16(15)22)18(26)25(19(27)24-20)10-14-11-28-17(23-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyDYOMKSKGMQGFNN-FQEVSTJZSA-N
MW432.33 g/mol
LogP5.08
Rot. Bonds4

About (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2122122) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID2122122
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O
InChIInChI=1S/C20H15Cl2N3O2S/c1-20(15-8-7-13(21)9-16(15)22)18(26)25(19(27)24-20)10-14-11-28-17(23-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyDYOMKSKGMQGFNN-FQEVSTJZSA-N
XLogP5.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.08
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

N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617042
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
CID 60524466
5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56522111
5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55356802
(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 52617959
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24576784
(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51537328

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 2122122) is (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O.
What is the InChIKey of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DYOMKSKGMQGFNN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c1-20(15-8-7-13(21)9-16(15)22)18(26)25(19(27)24-20)10-14-11-28-17(23-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 432.33 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2122122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).