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

C15H10F2N2O2S — CID 741712

IUPAC2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1
InChIInChI=1S/C15H10F2N2O2S/c1-21-8-5-6-11-12(7-8)22-15(18-11)19-14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19,20)
InChIKeyUYICIIPPCNOMGF-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.84
Rot. Bonds3

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

2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 741712) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID741712
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1
InChIInChI=1S/C15H10F2N2O2S/c1-21-8-5-6-11-12(7-8)22-15(18-11)19-14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19,20)
InChIKeyUYICIIPPCNOMGF-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879597
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
CID 110701475
1-[1-(2-fluorophenyl)ethyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 71889607
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 741712) is 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1.
What is the InChIKey of 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UYICIIPPCNOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c1-21-8-5-6-11-12(7-8)22-15(18-11)19-14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19,20).
What are the key properties of 2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 320.32 g/mol, XLogP of 3.84, 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-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 741712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).