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

C24H18F2N2O3S — CID 46065831

IUPAC2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)cc3)n2)cc1
InChIInChI=1S/C24H18F2N2O3S/c1-30-19-10-6-18(7-11-19)27-23(29)22-14-32-24(28-22)15-3-8-20(9-4-15)31-13-16-2-5-17(25)12-21(16)26/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeyRZRMIHURAOJXEU-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.93
Rot. Bonds7

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

2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46065831) has the molecular formula C24H18F2N2O3S and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46065831
Molecular FormulaC24H18F2N2O3S
Molecular Weight452.48 g/mol
Exact Mass452.10
IUPAC Name2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)cc3)n2)cc1
InChIInChI=1S/C24H18F2N2O3S/c1-30-19-10-6-18(7-11-19)27-23(29)22-14-32-24(28-22)15-3-8-20(9-4-15)31-13-16-2-5-17(25)12-21(16)26/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeyRZRMIHURAOJXEU-UHFFFAOYSA-N
XLogP5.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.93
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-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066254
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067894
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865953
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42866147
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46065831) is 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)cc3)n2)cc1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RZRMIHURAOJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3S/c1-30-19-10-6-18(7-11-19)27-23(29)22-14-32-24(28-22)15-3-8-20(9-4-15)31-13-16-2-5-17(25)12-21(16)26/h2-12,14H,13H2,1H3,(H,27,29).
What are the key properties of 2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 5.93, 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]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).