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

C14H9FN2OS — CID 749175

IUPACN-(1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18)
InChIKeyHVWMIWALOMXMOR-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide (PubChem CID 749175) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-fluorobenzamide
PubChem CID749175
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18)
InChIKeyHVWMIWALOMXMOR-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-(1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide (CID 749175) is N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide is O=C(Nc1nc2ccccc2s1)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The InChIKey is HVWMIWALOMXMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide?
N-(1,3-benzothiazol-2-yl)-4-fluorobenzamide 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-(1,3-benzothiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 749175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).