2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H28N4O4S — CID 55797374

IUPAC2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3cccc(NC(=O)CN(C)C)c3)s2)cc1OC
InChIInChI=1S/C24H28N4O4S/c1-15-22(33-24(26-15)17-9-10-19(31-4)20(12-17)32-5)23(30)25-13-16-7-6-8-18(11-16)27-21(29)14-28(2)3/h6-12H,13-14H2,1-5H3,(H,25,30)(H,27,29)
InChIKeyOBAFEYPWDMRRNL-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.57
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55797374) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55797374
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3cccc(NC(=O)CN(C)C)c3)s2)cc1OC
InChIInChI=1S/C24H28N4O4S/c1-15-22(33-24(26-15)17-9-10-19(31-4)20(12-17)32-5)23(30)25-13-16-7-6-8-18(11-16)27-21(29)14-28(2)3/h6-12H,13-14H2,1-5H3,(H,25,30)(H,27,29)
InChIKeyOBAFEYPWDMRRNL-UHFFFAOYSA-N
XLogP3.57
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55615027
2-[(4-chlorophenoxy)methyl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55797096
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166214618
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 55711424
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24655097
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42568657
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 9092442
N-[(2-bromo-5-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55900094
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
2-[3-[4-methoxy-3-[[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenyl]phenyl]acetic acid
CID 59219123

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55797374) is 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)NCc3cccc(NC(=O)CN(C)C)c3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OBAFEYPWDMRRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-22(33-24(26-15)17-9-10-19(31-4)20(12-17)32-5)23(30)25-13-16-7-6-8-18(11-16)27-21(29)14-28(2)3/h6-12H,13-14H2,1-5H3,(H,25,30)(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55797374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).