N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide

C25H23N3O2S — CID 24984128

IUPACN-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(CCc3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-18-23(24(30)26-17-21-10-6-3-7-11-21)31-25(27-18)28-15-14-20(16-22(28)29)13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3,(H,26,30)
InChIKeyGSPSPIYEHKAXTG-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.32
Rot. Bonds7

About N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 24984128) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID24984128
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(CCc3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-18-23(24(30)26-17-21-10-6-3-7-11-21)31-25(27-18)28-15-14-20(16-22(28)29)13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3,(H,26,30)
InChIKeyGSPSPIYEHKAXTG-UHFFFAOYSA-N
XLogP4.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-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

4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
CID 159389726
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide
CID 24985614
N-benzyl-2-[3-(4-fluorophenyl)-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58031500
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
N-benzyl-2-[3-[(4-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59481262
N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 89313211
N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 163610913
4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24958965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide (CID 24984128) is N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(CCc3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GSPSPIYEHKAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18-23(24(30)26-17-21-10-6-3-7-11-21)31-25(27-18)28-15-14-20(16-22(28)29)13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3,(H,26,30).
What are the key properties of N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24984128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).