N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C26H22N4O3S — CID 17437736

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C26H22N4O3S/c31-22(27-16-15-23-28-20-13-7-8-14-21(20)34-23)17-30-24(32)26(29-25(30)33,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,31)(H,29,33)
InChIKeyGYMGIRYVSJXIIF-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 17437736) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID17437736
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C26H22N4O3S/c31-22(27-16-15-23-28-20-13-7-8-14-21(20)34-23)17-30-24(32)26(29-25(30)33,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,31)(H,29,33)
InChIKeyGYMGIRYVSJXIIF-UHFFFAOYSA-N
XLogP3.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203363
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203365
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 41184016
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78810816
3-(1,3-benzothiazol-2-yl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]propanamide
CID 41491133
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 24519995
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91768357
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27926091

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 17437736) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is GYMGIRYVSJXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c31-22(27-16-15-23-28-20-13-7-8-14-21(20)34-23)17-30-24(32)26(29-25(30)33,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,31)(H,29,33).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 17437736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).