3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide

C20H16F2N2O2S — CID 59402666

IUPAC3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(C4=CCCC4)ccc3s2)c1F
InChIInChI=1S/C20H16F2N2O2S/c21-13-6-7-15(19(22)18(13)20(23)25)26-10-17-24-14-9-12(5-8-16(14)27-17)11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H2,23,25)
InChIKeyNNEUKMAGZFWBQX-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.82
Rot. Bonds5

About 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide

3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 59402666) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
PubChem CID59402666
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(C4=CCCC4)ccc3s2)c1F
InChIInChI=1S/C20H16F2N2O2S/c21-13-6-7-15(19(22)18(13)20(23)25)26-10-17-24-14-9-12(5-8-16(14)27-17)11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H2,23,25)
InChIKeyNNEUKMAGZFWBQX-UHFFFAOYSA-N
XLogP4.82
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 59402767
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012
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
methyl 2-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-6-carboxylate
CID 59402909
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-6-fluoro-2-methylbenzamide;ethane
CID 143542920
2,6-difluoro-3-[(6-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 59403032
2,6-difluoro-3-[[5-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 162538111
2,6-difluoro-3-[[6-(1-methylpyrrol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
CID 59402799
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 66620086
2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
CID 90154016
2,6-difluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)benzamide;ethane
CID 142447134

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide (CID 59402666) is 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2nc3cc(C4=CCCC4)ccc3s2)c1F.
What is the InChIKey of 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is NNEUKMAGZFWBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c21-13-6-7-15(19(22)18(13)20(23)25)26-10-17-24-14-9-12(5-8-16(14)27-17)11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H2,23,25).
What are the key properties of 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 386.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 59402666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).