2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

C25H29N3O4S — CID 46662344

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3N3CCOCC3)cs2)cc1OC
InChIInChI=1S/C25H29N3O4S/c1-27(16-19-6-4-5-7-21(19)28-10-12-32-13-11-28)24(29)15-20-17-33-25(26-20)18-8-9-22(30-2)23(14-18)31-3/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyMICNILDSEQNZEL-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.87
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 46662344) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID46662344
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3N3CCOCC3)cs2)cc1OC
InChIInChI=1S/C25H29N3O4S/c1-27(16-19-6-4-5-7-21(19)28-10-12-32-13-11-28)24(29)15-20-17-33-25(26-20)18-8-9-22(30-2)23(14-18)31-3/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyMICNILDSEQNZEL-UHFFFAOYSA-N
XLogP3.87
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 8693106
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 26973129
2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 48591350
N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride
CID 119660170
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55332279
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 32761494
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55528405
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 17465759

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (CID 46662344) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is COc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3N3CCOCC3)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is MICNILDSEQNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-27(16-19-6-4-5-7-21(19)28-10-12-32-13-11-28)24(29)15-20-17-33-25(26-20)18-8-9-22(30-2)23(14-18)31-3/h4-9,14,17H,10-13,15-16H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 46662344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).