3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C20H19N5O2S — CID 71574590

IUPAC3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCCNc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1
InChIInChI=1S/C20H19N5O2S/c1-2-21-18-24-23-16(28-18)13-25-17(26)20(22-19(25)27,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,24)(H,22,27)
InChIKeyKIBCHNPKZGBIGC-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.97
Rot. Bonds6

About 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 71574590) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID71574590
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCCNc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1
InChIInChI=1S/C20H19N5O2S/c1-2-21-18-24-23-16(28-18)13-25-17(26)20(22-19(25)27,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,24)(H,22,27)
InChIKeyKIBCHNPKZGBIGC-UHFFFAOYSA-N
XLogP2.97
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]cyclohexyl]benzamide
CID 46852579
2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 659438
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 895804
2-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1293023
3-methyl-N-[(2S)-3-methyl-1-oxo-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 2089556
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 1637764
3-[5-(Tert-butyl)-1,3,4-thiadiazol-2-yl]-1-methyl-5-phenylimidazolidine-2,4-dione
CID 2800798
5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide
CID 71451825
5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 71457143
2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-piperazin-1-ylacetamide
CID 74982449
N-[5-[4-[5-[[2-[3-(methylaminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 89596820
N-[5-[4-[5-[[2-[3-[(dimethylamino)methyl]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 89596932

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 71574590) is 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is CCNc1nnc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1.
What is the InChIKey of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is KIBCHNPKZGBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-2-21-18-24-23-16(28-18)13-25-17(26)20(22-19(25)27,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,21,24)(H,22,27).
What are the key properties of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 393.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 71574590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).