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

C25H20F2N2O3S — CID 46067991

IUPAC2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)N(C)c3ccccc3)cs2)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H20F2N2O3S/c1-29(18-6-4-3-5-7-18)25(30)21-15-33-24(28-21)17-9-11-22(23(13-17)31-2)32-14-16-8-10-19(26)20(27)12-16/h3-13,15H,14H2,1-2H3
InChIKeyYDFVFOGQZSRDFI-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.95
Rot. Bonds7

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

2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46067991) has the molecular formula C25H20F2N2O3S and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46067991
Molecular FormulaC25H20F2N2O3S
Molecular Weight466.51 g/mol
Exact Mass466.12
IUPAC Name2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)N(C)c3ccccc3)cs2)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H20F2N2O3S/c1-29(18-6-4-3-5-7-18)25(30)21-15-33-24(28-21)17-9-11-22(23(13-17)31-2)32-14-16-8-10-19(26)20(27)12-16/h3-13,15H,14H2,1-2H3
InChIKeyYDFVFOGQZSRDFI-UHFFFAOYSA-N
XLogP5.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46066284
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 42865957
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068237
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46066297
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46066288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide (CID 46067991) is 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)N(C)c3ccccc3)cs2)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is YDFVFOGQZSRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3S/c1-29(18-6-4-3-5-7-18)25(30)21-15-33-24(28-21)17-9-11-22(23(13-17)31-2)32-14-16-8-10-19(26)20(27)12-16/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide?
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).