2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide

C23H16F2N2O2S — CID 46065798

IUPAC2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1
InChIInChI=1S/C23H16F2N2O2S/c24-19-7-4-8-20(25)18(19)13-29-17-11-9-15(10-12-17)23-27-21(14-30-23)22(28)26-16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,28)
InChIKeyLJPJUWXNXFUOQG-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.92
Rot. Bonds6

About 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide

2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46065798) has the molecular formula C23H16F2N2O2S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46065798
Molecular FormulaC23H16F2N2O2S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1
InChIInChI=1S/C23H16F2N2O2S/c24-19-7-4-8-20(25)18(19)13-29-17-11-9-15(10-12-17)23-27-21(14-30-23)22(28)26-16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,28)
InChIKeyLJPJUWXNXFUOQG-UHFFFAOYSA-N
XLogP5.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46065918
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067879
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46065831

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide (CID 46065798) is 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1.
What is the InChIKey of 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is LJPJUWXNXFUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2S/c24-19-7-4-8-20(25)18(19)13-29-17-11-9-15(10-12-17)23-27-21(14-30-23)22(28)26-16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,28).
What are the key properties of 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).