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

C12H10F2N2O2S — CID 46236891

IUPAC2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(F)c(C(N)=O)c2F)n1
InChIInChI=1S/C12H10F2N2O2S/c1-6-5-19-9(16-6)4-18-8-3-2-7(13)10(11(8)14)12(15)17/h2-3,5H,4H2,1H3,(H2,15,17)
InChIKeyMKNSFNOQWWXTDX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.41
Rot. Bonds4

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

2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (PubChem CID 46236891) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
PubChem CID46236891
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(F)c(C(N)=O)c2F)n1
InChIInChI=1S/C12H10F2N2O2S/c1-6-5-19-9(16-6)4-18-8-3-2-7(13)10(11(8)14)12(15)17/h2-3,5H,4H2,1H3,(H2,15,17)
InChIKeyMKNSFNOQWWXTDX-UHFFFAOYSA-N
XLogP2.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (CID 46236891) is 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is 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?
The InChIKey is MKNSFNOQWWXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-6-5-19-9(16-6)4-18-8-3-2-7(13)10(11(8)14)12(15)17/h2-3,5H,4H2,1H3,(H2,15,17).
What are the key properties of 2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide has a molecular weight of 284.29 g/mol, XLogP of 2.41, 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 is sourced from PubChem (CID 46236891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).