N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide

C28H31N3O3S — CID 42788825

IUPACN-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
SMILESCc1ccc(-c2cn3c(CCN(CC4CCCO4)C(=O)COCc4ccccc4)csc3n2)cc1
InChIInChI=1S/C28H31N3O3S/c1-21-9-11-23(12-10-21)26-17-31-24(20-35-28(31)29-26)13-14-30(16-25-8-5-15-34-25)27(32)19-33-18-22-6-3-2-4-7-22/h2-4,6-7,9-12,17,20,25H,5,8,13-16,18-19H2,1H3
InChIKeyNWPQBBCRKBPGDQ-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.14
Rot. Bonds10

About N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide

N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide (PubChem CID 42788825) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
PubChem CID42788825
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC NameN-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
SMILESCc1ccc(-c2cn3c(CCN(CC4CCCO4)C(=O)COCc4ccccc4)csc3n2)cc1
InChIInChI=1S/C28H31N3O3S/c1-21-9-11-23(12-10-21)26-17-31-24(20-35-28(31)29-26)13-14-30(16-25-8-5-15-34-25)27(32)19-33-18-22-6-3-2-4-7-22/h2-4,6-7,9-12,17,20,25H,5,8,13-16,18-19H2,1H3
InChIKeyNWPQBBCRKBPGDQ-UHFFFAOYSA-N
XLogP5.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42788811
N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42793173
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 42793196
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 4124075
2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3996689
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 42793191
N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 4588461
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25285955
N-[[(2R)-oxolan-2-yl]methyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27376986
3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea
CID 4227965
N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide (CID 42788825) is N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide is Cc1ccc(-c2cn3c(CCN(CC4CCCO4)C(=O)COCc4ccccc4)csc3n2)cc1.
What is the InChIKey of N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide?
The InChIKey is NWPQBBCRKBPGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-21-9-11-23(12-10-21)26-17-31-24(20-35-28(31)29-26)13-14-30(16-25-8-5-15-34-25)27(32)19-33-18-22-6-3-2-4-7-22/h2-4,6-7,9-12,17,20,25H,5,8,13-16,18-19H2,1H3.
What are the key properties of N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide?
N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide has a molecular weight of 489.64 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 42788825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).