N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide

C18H16FN3O2S — CID 46328841

IUPACN-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
SMILESCCCC(=O)Nc1nc2cc(NC(=O)c3ccccc3F)ccc2s1
InChIInChI=1S/C18H16FN3O2S/c1-2-5-16(23)22-18-21-14-10-11(8-9-15(14)25-18)20-17(24)12-6-3-4-7-13(12)19/h3-4,6-10H,2,5H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXLVAVFPGXBKYAO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide

N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide (PubChem CID 46328841) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
PubChem CID46328841
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
SMILESCCCC(=O)Nc1nc2cc(NC(=O)c3ccccc3F)ccc2s1
InChIInChI=1S/C18H16FN3O2S/c1-2-5-16(23)22-18-21-14-10-11(8-9-15(14)25-18)20-17(24)12-6-3-4-7-13(12)19/h3-4,6-10H,2,5H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXLVAVFPGXBKYAO-UHFFFAOYSA-N
XLogP4.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
CID 19629659
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide
CID 46379279
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
CID 46328581
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289824
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
CID 50784269
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide (CID 46328841) is N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide is CCCC(=O)Nc1nc2cc(NC(=O)c3ccccc3F)ccc2s1.
What is the InChIKey of N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide?
The InChIKey is XLVAVFPGXBKYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-5-16(23)22-18-21-14-10-11(8-9-15(14)25-18)20-17(24)12-6-3-4-7-13(12)19/h3-4,6-10H,2,5H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide?
N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide is sourced from PubChem (CID 46328841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).