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

C18H14F2N2O3S — CID 59402749

IUPAC2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILESCOc1cccc(-c2csc(COc3ccc(F)c(C(N)=O)c3F)n2)c1
InChIInChI=1S/C18H14F2N2O3S/c1-24-11-4-2-3-10(7-11)13-9-26-15(22-13)8-25-14-6-5-12(19)16(17(14)20)18(21)23/h2-7,9H,8H2,1H3,(H2,21,23)
InChIKeyFLMMLWJFFWWSNO-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.77
Rot. Bonds6

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

2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide (PubChem CID 59402749) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
PubChem CID59402749
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILESCOc1cccc(-c2csc(COc3ccc(F)c(C(N)=O)c3F)n2)c1
InChIInChI=1S/C18H14F2N2O3S/c1-24-11-4-2-3-10(7-11)13-9-26-15(22-13)8-25-14-6-5-12(19)16(17(14)20)18(21)23/h2-7,9H,8H2,1H3,(H2,21,23)
InChIKeyFLMMLWJFFWWSNO-UHFFFAOYSA-N
XLogP3.77
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide (CID 59402749) is 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide is COc1cccc(-c2csc(COc3ccc(F)c(C(N)=O)c3F)n2)c1.
What is the InChIKey of 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The InChIKey is FLMMLWJFFWWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c1-24-11-4-2-3-10(7-11)13-9-26-15(22-13)8-25-14-6-5-12(19)16(17(14)20)18(21)23/h2-7,9H,8H2,1H3,(H2,21,23).
What are the key properties of 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide has a molecular weight of 376.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 59402749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).