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

C25H23N3O4S — CID 55855136

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)s2)cc1OC
InChIInChI=1S/C25H23N3O4S/c1-16-23(33-25(26-16)18-9-12-20(31-2)21(14-18)32-3)24(30)27-19-10-7-17(8-11-19)15-28-13-5-4-6-22(28)29/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyTWRAQELDUUCEHO-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.60
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55855136) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID55855136
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)s2)cc1OC
InChIInChI=1S/C25H23N3O4S/c1-16-23(33-25(26-16)18-9-12-20(31-2)21(14-18)32-3)24(30)27-19-10-7-17(8-11-19)15-28-13-5-4-6-22(28)29/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyTWRAQELDUUCEHO-UHFFFAOYSA-N
XLogP4.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 55711424
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42490383
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55669716
4-methoxy-3-(methylsulfamoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55855260
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27160888
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26688807
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26692755

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide (CID 55855136) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TWRAQELDUUCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16-23(33-25(26-16)18-9-12-20(31-2)21(14-18)32-3)24(30)27-19-10-7-17(8-11-19)15-28-13-5-4-6-22(28)29/h4-14H,15H2,1-3H3,(H,27,30).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55855136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).