3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide

C18H13BrF2N2O2S — CID 59402783

IUPAC3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESCc1cccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2Br)c1
InChIInChI=1S/C18H13BrF2N2O2S/c1-9-3-2-4-10(7-9)16-17(19)26-13(23-16)8-25-12-6-5-11(20)14(15(12)21)18(22)24/h2-7H,8H2,1H3,(H2,22,24)
InChIKeyXDWUKGOMTXWZRX-UHFFFAOYSA-N
MW439.28 g/mol
LogP4.84
Rot. Bonds5

About 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide

3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 59402783) has the molecular formula C18H13BrF2N2O2S and a molecular weight of 439.28 g/mol. Its IUPAC name is 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
PubChem CID59402783
Molecular FormulaC18H13BrF2N2O2S
Molecular Weight439.28 g/mol
Exact Mass437.98
IUPAC Name3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESCc1cccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2Br)c1
InChIInChI=1S/C18H13BrF2N2O2S/c1-9-3-2-4-10(7-9)16-17(19)26-13(23-16)8-25-12-6-5-11(20)14(15(12)21)18(22)24/h2-7H,8H2,1H3,(H2,22,24)
InChIKeyXDWUKGOMTXWZRX-UHFFFAOYSA-N
XLogP4.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237268
2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 67506078
2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237267
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
2,6-difluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)benzamide;ethane
CID 142447134
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 66620086
2,6-difluoro-3-[(6-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 59403032
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 87431335
2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
CID 59402799
3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237138

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide (CID 59402783) is 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide is Cc1cccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2Br)c1.
What is the InChIKey of 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is XDWUKGOMTXWZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2O2S/c1-9-3-2-4-10(7-9)16-17(19)26-13(23-16)8-25-12-6-5-11(20)14(15(12)21)18(22)24/h2-7H,8H2,1H3,(H2,22,24).
What are the key properties of 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide?
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 439.28 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 59402783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).