1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea

C24H26N4O2S — CID 4182700

IUPAC1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
SMILESCOCCN(CCc1csc2nc(-c3ccccc3)cn12)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H26N4O2S/c1-18-8-6-7-11-21(18)25-23(29)27(14-15-30-2)13-12-20-17-31-24-26-22(16-28(20)24)19-9-4-3-5-10-19/h3-11,16-17H,12-15H2,1-2H3,(H,25,29)
InChIKeyCRIVIAWZENIYPZ-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.09
Rot. Bonds8

About 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea

1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea (PubChem CID 4182700) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
PubChem CID4182700
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
SMILESCOCCN(CCc1csc2nc(-c3ccccc3)cn12)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H26N4O2S/c1-18-8-6-7-11-21(18)25-23(29)27(14-15-30-2)13-12-20-17-31-24-26-22(16-28(20)24)19-9-4-3-5-10-19/h3-11,16-17H,12-15H2,1-2H3,(H,25,29)
InChIKeyCRIVIAWZENIYPZ-UHFFFAOYSA-N
XLogP5.09
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523
N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide
CID 3601788
2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide
CID 42793108
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42793114
N-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide
CID 3564728
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 42793120
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 7301539
N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 42793156
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 3556870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea (CID 4182700) is 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea is COCCN(CCc1csc2nc(-c3ccccc3)cn12)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?
The InChIKey is CRIVIAWZENIYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-18-8-6-7-11-21(18)25-23(29)27(14-15-30-2)13-12-20-17-31-24-26-22(16-28(20)24)19-9-4-3-5-10-19/h3-11,16-17H,12-15H2,1-2H3,(H,25,29).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea?
1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea has a molecular weight of 434.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea is sourced from PubChem (CID 4182700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).