N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H18N4O3S — CID 8696373

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCn1/c(=N/C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc2ccccc21
InChIInChI=1S/C20H18N4O3S/c1-20(13-8-4-3-5-9-13)17(26)24(18(27)22-20)12-16(25)21-19-23(2)14-10-6-7-11-15(14)28-19/h3-11H,12H2,1-2H3,(H,22,27)/b21-19-/t20-/m0/s1
InChIKeyUZAJEGWWYTZNDF-LCPUNJGISA-N
MW394.46 g/mol
LogP2.13
Rot. Bonds3

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 8696373) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID8696373
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCn1/c(=N/C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc2ccccc21
InChIInChI=1S/C20H18N4O3S/c1-20(13-8-4-3-5-9-13)17(26)24(18(27)22-20)12-16(25)21-19-23(2)14-10-6-7-11-15(14)28-19/h3-11H,12H2,1-2H3,(H,22,27)/b21-19-/t20-/m0/s1
InChIKeyUZAJEGWWYTZNDF-LCPUNJGISA-N
XLogP2.13
TPSA83.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.13
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

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 43054266
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7942674
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
N-(tert-butylcarbamoyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429434
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2580097
N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 8696373) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is Cn1/c(=N/C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is UZAJEGWWYTZNDF-LCPUNJGISA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-20(13-8-4-3-5-9-13)17(26)24(18(27)22-20)12-16(25)21-19-23(2)14-10-6-7-11-15(14)28-19/h3-11H,12H2,1-2H3,(H,22,27)/b21-19-/t20-/m0/s1.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8696373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).