2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C25H28N4O2S — CID 53010074

IUPAC2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCc4cccnc4)CC3)s2)cc1
InChIInChI=1S/C25H28N4O2S/c1-17-5-7-21(8-6-17)24-28-18(2)23(32-24)25(31)29-12-9-19(10-13-29)14-22(30)27-16-20-4-3-11-26-15-20/h3-8,11,15,19H,9-10,12-14,16H2,1-2H3,(H,27,30)
InChIKeyVOUIYYIPEKYZEQ-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.38
Rot. Bonds6

About 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53010074) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53010074
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCc4cccnc4)CC3)s2)cc1
InChIInChI=1S/C25H28N4O2S/c1-17-5-7-21(8-6-17)24-28-18(2)23(32-24)25(31)29-12-9-19(10-13-29)14-22(30)27-16-20-4-3-11-26-15-20/h3-8,11,15,19H,9-10,12-14,16H2,1-2H3,(H,27,30)
InChIKeyVOUIYYIPEKYZEQ-UHFFFAOYSA-N
XLogP4.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide 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

2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53103598
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103572
N-[(4-ethylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103705
N-butyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53035385
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
CID 53035394
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50767959
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 38497854
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53103700
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 53010074) is 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCc4cccnc4)CC3)s2)cc1.
What is the InChIKey of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VOUIYYIPEKYZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17-5-7-21(8-6-17)24-28-18(2)23(32-24)25(31)29-12-9-19(10-13-29)14-22(30)27-16-20-4-3-11-26-15-20/h3-8,11,15,19H,9-10,12-14,16H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53010074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).