N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide

C16H13FN2OS — CID 813916

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccccc3F)sc2c1
InChIInChI=1S/C16H13FN2OS/c1-9-7-10(2)14-13(8-9)21-16(18-14)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJOCUAWBZLQNLBN-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.30
Rot. Bonds2

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide (PubChem CID 813916) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
PubChem CID813916
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccccc3F)sc2c1
InChIInChI=1S/C16H13FN2OS/c1-9-7-10(2)14-13(8-9)21-16(18-14)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJOCUAWBZLQNLBN-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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
CID 19226196
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5218207
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 66483121
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide
CID 17100377
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
CID 7600331
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879750

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide (CID 813916) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide is Cc1cc(C)c2nc(NC(=O)c3ccccc3F)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The InChIKey is JOCUAWBZLQNLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-7-10(2)14-13(8-9)21-16(18-14)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide 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 N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 813916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).