2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C16H13FN2OS — CID 79765196

IUPAC2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)c(F)c1
InChIInChI=1S/C16H13FN2OS/c1-9-3-5-11(12(17)7-9)15(20)19-16-18-13-6-4-10(2)8-14(13)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyGYNWCRHJHICUGE-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.30
Rot. Bonds2

About 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 79765196) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID79765196
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)c(F)c1
InChIInChI=1S/C16H13FN2OS/c1-9-3-5-11(12(17)7-9)15(20)19-16-18-13-6-4-10(2)8-14(13)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyGYNWCRHJHICUGE-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103602080
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-(methylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 81237659
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 79765196) is 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GYNWCRHJHICUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-3-5-11(12(17)7-9)15(20)19-16-18-13-6-4-10(2)8-14(13)21-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 79765196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).