N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C23H25N3OS — CID 27673424

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C23H25N3OS/c1-17-7-9-19(10-8-17)23-25-21(16-28-23)22(27)24-20-11-13-26(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,24,27)
InChIKeyJCNJGNWZGIMCAC-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.51
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 27673424) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID27673424
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C23H25N3OS/c1-17-7-9-19(10-8-17)23-25-21(16-28-23)22(27)24-20-11-13-26(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,24,27)
InChIKeyJCNJGNWZGIMCAC-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-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-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87035940
N-(1-benzylpiperidin-4-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 52907438
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
2-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1-benzylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 42769765
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 78858936
N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99640785
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24660099

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 27673424) is N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JCNJGNWZGIMCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17-7-9-19(10-8-17)23-25-21(16-28-23)22(27)24-20-11-13-26(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27673424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).