N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C26H26N4O3S — CID 140940726

IUPACN-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOCCNc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C26H26N4O3S/c1-17-14-22(33-21-6-4-20(5-7-21)28-12-13-32-3)15-18(2)24(17)23-16-34-26(29-23)30-25(31)19-8-10-27-11-9-19/h4-11,14-16,28H,12-13H2,1-3H3,(H,29,30,31)
InChIKeyLHBOHPDBEWJYCT-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.92
Rot. Bonds9

About N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 140940726) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID140940726
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOCCNc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C26H26N4O3S/c1-17-14-22(33-21-6-4-20(5-7-21)28-12-13-32-3)15-18(2)24(17)23-16-34-26(29-23)30-25(31)19-8-10-27-11-9-19/h4-11,14-16,28H,12-13H2,1-3H3,(H,29,30,31)
InChIKeyLHBOHPDBEWJYCT-UHFFFAOYSA-N
XLogP5.92
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428
N-[4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442458
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
2-fluoro-N-[4-[4-(4-methoxyphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389651
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
CID 118013446
tert-butyl 2-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]anilino]acetate
CID 118006052
2-bromo-1-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]ethanone;1-(4-chloro-2,6-dimethylphenyl)ethanone;1-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]ethanone;4-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]-1,3-thiazol-2-amine;N-[4-[2,6-dimethyl-4-(4-phenoxyphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 159450241
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;tris(N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide)
CID 157070449
2-bromo-1-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]ethanone;1-(4-hydroxy-2,6-dimethylphenyl)ethanone;1-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]ethanone;4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-amine;N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 161049028
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 140940726) is N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COCCNc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1.
What is the InChIKey of N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is LHBOHPDBEWJYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-17-14-22(33-21-6-4-20(5-7-21)28-12-13-32-3)15-18(2)24(17)23-16-34-26(29-23)30-25(31)19-8-10-27-11-9-19/h4-11,14-16,28H,12-13H2,1-3H3,(H,29,30,31).
What are the key properties of N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 5.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 140940726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).