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

C17H12F2N2O3S — CID 59402859

IUPAC2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2csc(-c3cccc(O)c3)n2)c1F
InChIInChI=1S/C17H12F2N2O3S/c18-12-4-5-13(15(19)14(12)16(20)23)24-7-10-8-25-17(21-10)9-2-1-3-11(22)6-9/h1-6,8,22H,7H2,(H2,20,23)
InChIKeyRELPGRFEPBTKCL-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.47
Rot. Bonds5

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

2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide (PubChem CID 59402859) has the molecular formula C17H12F2N2O3S and a molecular weight of 362.36 g/mol. Its IUPAC name is 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide
PubChem CID59402859
Molecular FormulaC17H12F2N2O3S
Molecular Weight362.36 g/mol
Exact Mass362.05
IUPAC Name2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2csc(-c3cccc(O)c3)n2)c1F
InChIInChI=1S/C17H12F2N2O3S/c18-12-4-5-13(15(19)14(12)16(20)23)24-7-10-8-25-17(21-10)9-2-1-3-11(22)6-9/h1-6,8,22H,7H2,(H2,20,23)
InChIKeyRELPGRFEPBTKCL-UHFFFAOYSA-N
XLogP3.47
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402749
2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402902
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
3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237138
2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 59402767
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
CID 59402891
3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
CID 59549533
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
3-[[3-(4-tert-butylphenyl)phenyl]methoxy]-2,6-difluorobenzamide
CID 90153643
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-fluorobenzoate
CID 7758579

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide (CID 59402859) is 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2csc(-c3cccc(O)c3)n2)c1F.
What is the InChIKey of 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide?
The InChIKey is RELPGRFEPBTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3S/c18-12-4-5-13(15(19)14(12)16(20)23)24-7-10-8-25-17(21-10)9-2-1-3-11(22)6-9/h1-6,8,22H,7H2,(H2,20,23).
What are the key properties of 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide?
2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide has a molecular weight of 362.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 59402859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).