3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C19H17N3O3S — CID 42898025

IUPAC3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-19(12-7-9-13(25-2)10-8-12)17(23)22(18(24)21-19)11-16-20-14-5-3-4-6-15(14)26-16/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyCBBKBBALCLOBLU-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.27
Rot. Bonds4

About 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 42898025) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID42898025
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-19(12-7-9-13(25-2)10-8-12)17(23)22(18(24)21-19)11-16-20-14-5-3-4-6-15(14)26-16/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyCBBKBBALCLOBLU-UHFFFAOYSA-N
XLogP3.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.27
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

(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7802364
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595902
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 2702495
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 8586905
1,3-benzothiazol-2-ylmethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709452
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734
(5R)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41183639
3-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 55416101
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
3-(1,3-benzothiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70757949
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 7300064

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 42898025) is 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CBBKBBALCLOBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-19(12-7-9-13(25-2)10-8-12)17(23)22(18(24)21-19)11-16-20-14-5-3-4-6-15(14)26-16/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42898025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).