2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide

C27H31N3O4S — CID 46442809

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)N3CC(C)CC(C)C3)cs2)cc1OC
InChIInChI=1S/C27H31N3O4S/c1-17-11-18(2)15-30(14-17)27(32)21-7-5-6-8-22(21)29-25(31)13-20-16-35-26(28-20)19-9-10-23(33-3)24(12-19)34-4/h5-10,12,16-18H,11,13-15H2,1-4H3,(H,29,31)
InChIKeyDCTLAKQBGKTDDF-UHFFFAOYSA-N
MW493.63 g/mol
LogP5.13
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 46442809) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID46442809
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)N3CC(C)CC(C)C3)cs2)cc1OC
InChIInChI=1S/C27H31N3O4S/c1-17-11-18(2)15-30(14-17)27(32)21-7-5-6-8-22(21)29-25(31)13-20-16-35-26(28-20)19-9-10-23(33-3)24(12-19)34-4/h5-10,12,16-18H,11,13-15H2,1-4H3,(H,29,31)
InChIKeyDCTLAKQBGKTDDF-UHFFFAOYSA-N
XLogP5.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55676731
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 43016811
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 55984591
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51564093
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 55328635
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide (CID 46442809) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)N3CC(C)CC(C)C3)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is DCTLAKQBGKTDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-17-11-18(2)15-30(14-17)27(32)21-7-5-6-8-22(21)29-25(31)13-20-16-35-26(28-20)19-9-10-23(33-3)24(12-19)34-4/h5-10,12,16-18H,11,13-15H2,1-4H3,(H,29,31).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 493.63 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 46442809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).