N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C23H26N4OS — CID 55868596

IUPACN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C23H26N4OS/c1-17-5-2-3-12-27(17)15-18-7-9-20(10-8-18)25-22(28)13-21-16-29-23(26-21)19-6-4-11-24-14-19/h4,6-11,14,16-17H,2-3,5,12-13,15H2,1H3,(H,25,28)
InChIKeyHRBHDRDECYMTDM-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.76
Rot. Bonds6

About N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55868596) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55868596
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C23H26N4OS/c1-17-5-2-3-12-27(17)15-18-7-9-20(10-8-18)25-22(28)13-21-16-29-23(26-21)19-6-4-11-24-14-19/h4,6-11,14,16-17H,2-3,5,12-13,15H2,1H3,(H,25,28)
InChIKeyHRBHDRDECYMTDM-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)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

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55798536
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 75383767
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55554993
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55563635
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55868596) is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CC1CCCCN1Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HRBHDRDECYMTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-17-5-2-3-12-27(17)15-18-7-9-20(10-8-18)25-22(28)13-21-16-29-23(26-21)19-6-4-11-24-14-19/h4,6-11,14,16-17H,2-3,5,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 406.56 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55868596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).