1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide

C23H32N4O2S — CID 55852922

IUPAC1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1
InChIInChI=1S/C23H32N4O2S/c1-3-4-5-12-24-22(29)19-10-13-27(14-11-19)15-21(28)26-23-25-20(16-30-23)18-8-6-17(2)7-9-18/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyUIKDKIAAXXHSSY-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.08
Rot. Bonds9

About 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide

1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55852922) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55852922
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1
InChIInChI=1S/C23H32N4O2S/c1-3-4-5-12-24-22(29)19-10-13-27(14-11-19)15-21(28)26-23-25-20(16-30-23)18-8-6-17(2)7-9-18/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyUIKDKIAAXXHSSY-UHFFFAOYSA-N
XLogP4.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24561151
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 55838677
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide (CID 55852922) is 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1.
What is the InChIKey of 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is UIKDKIAAXXHSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-3-4-5-12-24-22(29)19-10-13-27(14-11-19)15-21(28)26-23-25-20(16-30-23)18-8-6-17(2)7-9-18/h6-9,16,19H,3-5,10-15H2,1-2H3,(H,24,29)(H,25,26,28).
What are the key properties of 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55852922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).