N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

C24H18F2N2O2S — CID 46066956

IUPACN-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1
InChIInChI=1S/C24H18F2N2O2S/c25-18-8-4-7-17(11-18)14-30-19-9-10-20(21(26)12-19)24-28-22(15-31-24)23(29)27-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,27,29)
InChIKeyBTXSGVFHJYPRAK-UHFFFAOYSA-N
MW436.48 g/mol
LogP5.60
Rot. Bonds7

About N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46066956) has the molecular formula C24H18F2N2O2S and a molecular weight of 436.48 g/mol. Its IUPAC name is N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46066956
Molecular FormulaC24H18F2N2O2S
Molecular Weight436.48 g/mol
Exact Mass436.11
IUPAC NameN-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1
InChIInChI=1S/C24H18F2N2O2S/c25-18-8-4-7-17(11-18)14-30-19-9-10-20(21(26)12-19)24-28-22(15-31-24)23(29)27-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,27,29)
InChIKeyBTXSGVFHJYPRAK-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066945
N-cyclopropyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066959
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46067111
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 42866233
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46066941

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46066956) is N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1.
What is the InChIKey of N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BTXSGVFHJYPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2S/c25-18-8-4-7-17(11-18)14-30-19-9-10-20(21(26)12-19)24-28-22(15-31-24)23(29)27-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,27,29).
What are the key properties of N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).