(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione

C24H19N3O2S — CID 7300064

IUPAC(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc2ccccc2s1
InChIInChI=1S/C24H19N3O2S/c28-22-24(18-11-5-2-6-12-18,15-17-9-3-1-4-10-17)26-23(29)27(22)16-21-25-19-13-7-8-14-20(19)30-21/h1-14H,15-16H2,(H,26,29)/t24-/m0/s1
InChIKeyHMDVCFFYHJGGLC-DEOSSOPVSA-N
MW413.50 g/mol
LogP4.49
Rot. Bonds5

About (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione

(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione (PubChem CID 7300064) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
PubChem CID7300064
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc2ccccc2s1
InChIInChI=1S/C24H19N3O2S/c28-22-24(18-11-5-2-6-12-18,15-17-9-3-1-4-10-17)26-23(29)27(22)16-21-25-19-13-7-8-14-20(19)30-21/h1-14H,15-16H2,(H,26,29)/t24-/m0/s1
InChIKeyHMDVCFFYHJGGLC-DEOSSOPVSA-N
XLogP4.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.49
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

(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8586905
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7802364
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734
(5S)-5-benzyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 9451754
3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 17481393
(5S)-3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 51887059
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
3-(1,3-benzothiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70757949
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42898025
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595902

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione (CID 7300064) is (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione is O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc2ccccc2s1.
What is the InChIKey of (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is HMDVCFFYHJGGLC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-22-24(18-11-5-2-6-12-18,15-17-9-3-1-4-10-17)26-23(29)27(22)16-21-25-19-13-7-8-14-20(19)30-21/h1-14H,15-16H2,(H,26,29)/t24-/m0/s1.
What are the key properties of (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 413.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7300064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).