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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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).