2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C21H26N4O3S — CID 86964877

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NC(c2cccc(OC)c2)c2nccn2C)cs1
InChIInChI=1S/C21H26N4O3S/c1-5-28-14(2)21-23-16(13-29-21)12-18(26)24-19(20-22-9-10-25(20)3)15-7-6-8-17(11-15)27-4/h6-11,13-14,19H,5,12H2,1-4H3,(H,24,26)
InChIKeyOELYSWCWSMBXDX-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.43
Rot. Bonds9

About 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 86964877) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID86964877
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NC(c2cccc(OC)c2)c2nccn2C)cs1
InChIInChI=1S/C21H26N4O3S/c1-5-28-14(2)21-23-16(13-29-21)12-18(26)24-19(20-22-9-10-25(20)3)15-7-6-8-17(11-15)27-4/h6-11,13-14,19H,5,12H2,1-4H3,(H,24,26)
InChIKeyOELYSWCWSMBXDX-UHFFFAOYSA-N
XLogP3.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
CID 47044298
2-(2-chloro-6-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40797865
3-indol-1-yl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51334347
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 31505687
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46647780
2-(2-chlorophenoxy)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40795395
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 86964877) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is CCOC(C)c1nc(CC(=O)NC(c2cccc(OC)c2)c2nccn2C)cs1.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is OELYSWCWSMBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-5-28-14(2)21-23-16(13-29-21)12-18(26)24-19(20-22-9-10-25(20)3)15-7-6-8-17(11-15)27-4/h6-11,13-14,19H,5,12H2,1-4H3,(H,24,26).
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 86964877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).