2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide

C21H15F2N3O3S2 — CID 59402708

IUPAC2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILESCOc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2-c2nccs2)cc1
InChIInChI=1S/C21H15F2N3O3S2/c1-28-12-4-2-11(3-5-12)18-19(21-25-8-9-30-21)31-15(26-18)10-29-14-7-6-13(22)16(17(14)23)20(24)27/h2-9H,10H2,1H3,(H2,24,27)
InChIKeyMPOSBZFVGMBUPM-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.90
Rot. Bonds7

About 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide

2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide (PubChem CID 59402708) has the molecular formula C21H15F2N3O3S2 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide
PubChem CID59402708
Molecular FormulaC21H15F2N3O3S2
Molecular Weight459.50 g/mol
Exact Mass459.05
IUPAC Name2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILESCOc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2-c2nccs2)cc1
InChIInChI=1S/C21H15F2N3O3S2/c1-28-12-4-2-11(3-5-12)18-19(21-25-8-9-30-21)31-15(26-18)10-29-14-7-6-13(22)16(17(14)23)20(24)27/h2-9H,10H2,1H3,(H2,24,27)
InChIKeyMPOSBZFVGMBUPM-UHFFFAOYSA-N
XLogP4.90
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 130301550
2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 87431335
2,6-difluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)benzamide;ethane
CID 142447134
N-[[4-[5-(2-aminophenyl)-2-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]phenoxy]methyl]-3-[[5-(3-aminophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2,6-difluoro-4-methoxybenzamide
CID 87571295
3-[[5-(3-aminophenyl)-4-[5-[[5-(2-aminophenyl)-4-[4-(methoxymethoxy)phenyl]-1,3-thiazol-2-yl]methoxy]-2,4-difluorophenyl]-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide;benzamide
CID 87708478
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 67506078
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237267
2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237268

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide (CID 59402708) is 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide is COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2-c2nccs2)cc1.
What is the InChIKey of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide?
The InChIKey is MPOSBZFVGMBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S2/c1-28-12-4-2-11(3-5-12)18-19(21-25-8-9-30-21)31-15(26-18)10-29-14-7-6-13(22)16(17(14)23)20(24)27/h2-9H,10H2,1H3,(H2,24,27).
What are the key properties of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide has a molecular weight of 459.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 59402708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).