2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C25H20F2N2O3S — CID 46066254

IUPAC2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C25H20F2N2O3S/c1-15-3-8-19(9-4-15)28-24(30)21-14-33-25(29-21)16-6-10-22(23(11-16)31-2)32-13-17-5-7-18(26)12-20(17)27/h3-12,14H,13H2,1-2H3,(H,28,30)
InChIKeyMAUYQZZCLLKHSI-UHFFFAOYSA-N
MW466.51 g/mol
LogP6.24
Rot. Bonds7

About 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066254) has the molecular formula C25H20F2N2O3S and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066254
Molecular FormulaC25H20F2N2O3S
Molecular Weight466.51 g/mol
Exact Mass466.12
IUPAC Name2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C25H20F2N2O3S/c1-15-3-8-19(9-4-15)28-24(30)21-14-33-25(29-21)16-6-10-22(23(11-16)31-2)32-13-17-5-7-18(26)12-20(17)27/h3-12,14H,13H2,1-2H3,(H,28,30)
InChIKeyMAUYQZZCLLKHSI-UHFFFAOYSA-N
XLogP6.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 46066250
2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42865930
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46065831
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865953
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42866147
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46165555
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 46066254) is 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MAUYQZZCLLKHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3S/c1-15-3-8-19(9-4-15)28-24(30)21-14-33-25(29-21)16-6-10-22(23(11-16)31-2)32-13-17-5-7-18(26)12-20(17)27/h3-12,14H,13H2,1-2H3,(H,28,30).
What are the key properties of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).