N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C21H26N4O3S — CID 31824270

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1
InChIInChI=1S/C21H26N4O3S/c1-13(2)20(28)25-10-8-16(9-11-25)19(27)24-21-23-18(12-29-21)15-4-6-17(7-5-15)22-14(3)26/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyRNEUIVWFEHUHPV-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 31824270) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID31824270
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1
InChIInChI=1S/C21H26N4O3S/c1-13(2)20(28)25-10-8-16(9-11-25)19(27)24-21-23-18(12-29-21)15-4-6-17(7-5-15)22-14(3)26/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyRNEUIVWFEHUHPV-UHFFFAOYSA-N
XLogP3.60
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-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

N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(cyclopropanecarbonyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 25481173
4-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46491446
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952032
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55567674
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261910

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 31824270) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is RNEUIVWFEHUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-13(2)20(28)25-10-8-16(9-11-25)19(27)24-21-23-18(12-29-21)15-4-6-17(7-5-15)22-14(3)26/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31824270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).