2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

C16H12F2N2O2S — CID 7193069

IUPAC2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(NC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C16H12F2N2O2S/c1-8-6-7-11(22-2)13-14(8)23-16(19-13)20-15(21)12-9(17)4-3-5-10(12)18/h3-7H,1-2H3,(H,19,20,21)
InChIKeyOHIKOTWRMDFUSB-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.14
Rot. Bonds3

About 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7193069) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7193069
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(NC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C16H12F2N2O2S/c1-8-6-7-11(22-2)13-14(8)23-16(19-13)20-15(21)12-9(17)4-3-5-10(12)18/h3-7H,1-2H3,(H,19,20,21)
InChIKeyOHIKOTWRMDFUSB-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7193069) is 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C)c2sc(NC(=O)c3c(F)cccc3F)nc12.
What is the InChIKey of 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OHIKOTWRMDFUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-8-6-7-11(22-2)13-14(8)23-16(19-13)20-15(21)12-9(17)4-3-5-10(12)18/h3-7H,1-2H3,(H,19,20,21).
What are the key properties of 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 334.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7193069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).