N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C22H24N4OS — CID 53036751

IUPACN-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1
InChIInChI=1S/C22H24N4OS/c1-16-7-3-4-8-18(16)14-24-21(27)19-15-28-22(25-19)17-9-10-23-20(13-17)26-11-5-2-6-12-26/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,24,27)
InChIKeyBMAIGVKJPUXGRJ-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.43
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53036751) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53036751
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1
InChIInChI=1S/C22H24N4OS/c1-16-7-3-4-8-18(16)14-24-21(27)19-15-28-22(25-19)17-9-10-23-20(13-17)26-11-5-2-6-12-26/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,24,27)
InChIKeyBMAIGVKJPUXGRJ-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-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-[(2-chlorophenyl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036726
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119274
2-(2-piperidin-1-yl-4-pyridinyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
CID 95056667
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175231
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53036751) is N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1ccccc1CNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BMAIGVKJPUXGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16-7-3-4-8-18(16)14-24-21(27)19-15-28-22(25-19)17-9-10-23-20(13-17)26-11-5-2-6-12-26/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,24,27).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53036751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).