2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane

C14H16F2N2O2S — CID 143542941

IUPAC2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
SMILESCC.Cc1csc(COc2ccc(F)c(C(N)=O)c2F)n1
InChIInChI=1S/C12H10F2N2O2S.C2H6/c1-6-5-19-9(16-6)4-18-8-3-2-7(13)10(11(8)14)12(15)17;1-2/h2-3,5H,4H2,1H3,(H2,15,17);1-2H3
InChIKeyZIGZTIYWCYMVDU-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.43
Rot. Bonds4

About 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane

2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane (PubChem CID 143542941) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
PubChem CID143542941
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
SMILESCC.Cc1csc(COc2ccc(F)c(C(N)=O)c2F)n1
InChIInChI=1S/C12H10F2N2O2S.C2H6/c1-6-5-19-9(16-6)4-18-8-3-2-7(13)10(11(8)14)12(15)17;1-2/h2-3,5H,4H2,1H3,(H2,15,17);1-2H3
InChIKeyZIGZTIYWCYMVDU-UHFFFAOYSA-N
XLogP3.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-chloropyrimidin-5-yl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 130301521
2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402771
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
2,6-difluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)benzamide;ethane
CID 142447134
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
2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 67506078
2,6-difluoro-3-[(6-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 59403032
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
2,6-difluoro-3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]benzamide
CID 59403007
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane?
The IUPAC name of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane (CID 143542941) is 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane.
What is the SMILES notation for 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane?
The canonical SMILES for 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane is CC.Cc1csc(COc2ccc(F)c(C(N)=O)c2F)n1.
What is the InChIKey of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane?
The InChIKey is ZIGZTIYWCYMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S.C2H6/c1-6-5-19-9(16-6)4-18-8-3-2-7(13)10(11(8)14)12(15)17;1-2/h2-3,5H,4H2,1H3,(H2,15,17);1-2H3.
What are the key properties of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane?
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane has a molecular weight of 314.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane is sourced from PubChem (CID 143542941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).