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

C26H29N3O2S — CID 55676731

IUPACN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)N3CC(C)CC(C)C3)cs2)cc1
InChIInChI=1S/C26H29N3O2S/c1-17-8-10-20(11-9-17)25-27-21(16-32-25)13-24(30)28-23-7-5-4-6-22(23)26(31)29-14-18(2)12-19(3)15-29/h4-11,16,18-19H,12-15H2,1-3H3,(H,28,30)
InChIKeyONGVIKWENVSDDQ-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.42
Rot. Bonds5

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

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55676731) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55676731
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)N3CC(C)CC(C)C3)cs2)cc1
InChIInChI=1S/C26H29N3O2S/c1-17-8-10-20(11-9-17)25-27-21(16-32-25)13-24(30)28-23-7-5-4-6-22(23)26(31)29-14-18(2)12-19(3)15-29/h4-11,16,18-19H,12-15H2,1-3H3,(H,28,30)
InChIKeyONGVIKWENVSDDQ-UHFFFAOYSA-N
XLogP5.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 46442809
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112772042
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 55676731) is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)N3CC(C)CC(C)C3)cs2)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ONGVIKWENVSDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-17-8-10-20(11-9-17)25-27-21(16-32-25)13-24(30)28-23-7-5-4-6-22(23)26(31)29-14-18(2)12-19(3)15-29/h4-11,16,18-19H,12-15H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 447.60 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55676731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).