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

C15H11FN2OS — CID 746903

IUPAC2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccccc3F)sc2c1
InChIInChI=1S/C15H11FN2OS/c1-9-6-7-12-13(8-9)20-15(17-12)18-14(19)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18,19)
InChIKeySUWWTKDBWWFFKK-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.00
Rot. Bonds2

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

2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 746903) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID746903
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccccc3F)sc2c1
InChIInChI=1S/C15H11FN2OS/c1-9-6-7-12-13(8-9)20-15(17-12)18-14(19)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18,19)
InChIKeySUWWTKDBWWFFKK-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LH-846
CID 851474
Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 746903) is 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccccc3F)sc2c1.
What is the InChIKey of 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SUWWTKDBWWFFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-9-6-7-12-13(8-9)20-15(17-12)18-14(19)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 746903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).