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

C14H9FN2OS — CID 953496

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccccc1
InChIInChI=1S/C14H9FN2OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyGPAIMYGNLZYSRN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

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

N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 953496) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID953496
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccccc1
InChIInChI=1S/C14H9FN2OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKeyGPAIMYGNLZYSRN-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 953496) is N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GPAIMYGNLZYSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,17,18).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 272.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 953496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).