N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide

C34H31N3O2S — CID 3564728

IUPACN-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide
SMILESCOCCN(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31N3O2S/c1-39-21-20-36(33(38)32(26-11-4-2-5-12-26)27-13-6-3-7-14-27)19-18-30-24-40-34-35-31(23-37(30)34)29-17-16-25-10-8-9-15-28(25)22-29/h2-17,22-24,32H,18-21H2,1H3
InChIKeyPQYCJJOFLRZDLG-UHFFFAOYSA-N
MW545.71 g/mol
LogP7.07
Rot. Bonds10

About N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide

N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide (PubChem CID 3564728) has the molecular formula C34H31N3O2S and a molecular weight of 545.71 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide
PubChem CID3564728
Molecular FormulaC34H31N3O2S
Molecular Weight545.71 g/mol
Exact Mass545.21
IUPAC NameN-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide
SMILESCOCCN(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31N3O2S/c1-39-21-20-36(33(38)32(26-11-4-2-5-12-26)27-13-6-3-7-14-27)19-18-30-24-40-34-35-31(23-37(30)34)29-17-16-25-10-8-9-15-28(25)22-29/h2-17,22-24,32H,18-21H2,1H3
InChIKeyPQYCJJOFLRZDLG-UHFFFAOYSA-N
XLogP7.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.71
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide (CID 3564728) is N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide is COCCN(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide?
The InChIKey is PQYCJJOFLRZDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O2S/c1-39-21-20-36(33(38)32(26-11-4-2-5-12-26)27-13-6-3-7-14-27)19-18-30-24-40-34-35-31(23-37(30)34)29-17-16-25-10-8-9-15-28(25)22-29/h2-17,22-24,32H,18-21H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide?
N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide has a molecular weight of 545.71 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3564728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).