2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

C15H10F2N2OS2 — CID 7615215

IUPAC2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCSc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C15H10F2N2OS2/c1-21-10-6-3-7-11-13(10)18-15(22-11)19-14(20)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,18,19,20)
InChIKeyGIHOGAZYRQNDOJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.55
Rot. Bonds3

About 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7615215) has the molecular formula C15H10F2N2OS2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7615215
Molecular FormulaC15H10F2N2OS2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Name2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
SMILESCSc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12
InChIInChI=1S/C15H10F2N2OS2/c1-21-10-6-3-7-11-13(10)18-15(22-11)19-14(20)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,18,19,20)
InChIKeyGIHOGAZYRQNDOJ-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147781
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide
CID 121083329
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7615195
1-(3,5-dimethylphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081214
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082738
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide (CID 7615215) is 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is CSc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12.
What is the InChIKey of 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GIHOGAZYRQNDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS2/c1-21-10-6-3-7-11-13(10)18-15(22-11)19-14(20)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,18,19,20).
What are the key properties of 2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide?
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 4.55, 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-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).