2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide

C22H22N4O2S — CID 119062039

IUPAC2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
SMILESCCOC(C(=O)NC(C)c1cn2ncsc2n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-3-28-22(17-10-6-4-7-11-17,18-12-8-5-9-13-18)20(27)24-16(2)19-14-26-21(25-19)29-15-23-26/h4-16H,3H2,1-2H3,(H,24,27)
InChIKeyDYOQVRVVUSKLFW-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.95
Rot. Bonds7

About 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide

2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide (PubChem CID 119062039) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
PubChem CID119062039
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
SMILESCCOC(C(=O)NC(C)c1cn2ncsc2n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-3-28-22(17-10-6-4-7-11-17,18-12-8-5-9-13-18)20(27)24-16(2)19-14-26-21(25-19)29-15-23-26/h4-16H,3H2,1-2H3,(H,24,27)
InChIKeyDYOQVRVVUSKLFW-UHFFFAOYSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylpropanoate
CID 67420161
1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
CID 122558681
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
CID 74230786
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70753994
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
CID 131894443
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
2-ethoxy-N-(4-iodophenyl)-2,2-diphenylacetamide
CID 2501574
benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
CID 67433032
2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
CID 120594633
2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide
CID 142032314

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide?
The IUPAC name of 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide (CID 119062039) is 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide.
What is the SMILES notation for 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide?
The canonical SMILES for 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide is CCOC(C(=O)NC(C)c1cn2ncsc2n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide?
The InChIKey is DYOQVRVVUSKLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-3-28-22(17-10-6-4-7-11-17,18-12-8-5-9-13-18)20(27)24-16(2)19-14-26-21(25-19)29-15-23-26/h4-16H,3H2,1-2H3,(H,24,27).
What are the key properties of 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide?
2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide has a molecular weight of 406.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 119062039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).