(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C20H19N3O3S — CID 7802364

IUPAC(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O
InChIInChI=1S/C20H19N3O3S/c1-3-20(13-8-10-14(26-2)11-9-13)18(24)23(19(25)22-20)12-17-21-15-6-4-5-7-16(15)27-17/h4-11H,3,12H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyATSOJHQQQGTYPA-HXUWFJFHSA-N
MW381.46 g/mol
LogP3.66
Rot. Bonds5

About (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 7802364) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID7802364
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O
InChIInChI=1S/C20H19N3O3S/c1-3-20(13-8-10-14(26-2)11-9-13)18(24)23(19(25)22-20)12-17-21-15-6-4-5-7-16(15)27-17/h4-11H,3,12H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyATSOJHQQQGTYPA-HXUWFJFHSA-N
XLogP3.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8586905
3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42898025
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 7300064
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595902
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 7802364) is (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O.
What is the InChIKey of (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is ATSOJHQQQGTYPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-20(13-8-10-14(26-2)11-9-13)18(24)23(19(25)22-20)12-17-21-15-6-4-5-7-16(15)27-17/h4-11H,3,12H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 381.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7802364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).