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

C14H9FN2OS — CID 156781454

IUPACN-(1,2-benzothiazol-3-yl)-2-fluorobenzamide
SMILESO=C(Nc1nsc2ccccc12)c1ccccc1F
InChIInChI=1S/C14H9FN2OS/c15-11-7-3-1-5-9(11)14(18)16-13-10-6-2-4-8-12(10)19-17-13/h1-8H,(H,16,17,18)
InChIKeyKNLUPLXPAZFEAD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

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

N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide (PubChem CID 156781454) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-2-fluorobenzamide
PubChem CID156781454
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(1,2-benzothiazol-3-yl)-2-fluorobenzamide
SMILESO=C(Nc1nsc2ccccc12)c1ccccc1F
InChIInChI=1S/C14H9FN2OS/c15-11-7-3-1-5-9(11)14(18)16-13-10-6-2-4-8-12(10)19-17-13/h1-8H,(H,16,17,18)
InChIKeyKNLUPLXPAZFEAD-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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Related Compounds

N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide
CID 156781452
N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide
CID 156781458
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2,5-difluorobenzamide
CID 57436445
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 57436450
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide
CID 14762224
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
CID 11988661
N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-2-fluorobenzamide
CID 4713731
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide (CID 156781454) is N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide is O=C(Nc1nsc2ccccc12)c1ccccc1F.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide?
The InChIKey is KNLUPLXPAZFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-11-7-3-1-5-9(11)14(18)16-13-10-6-2-4-8-12(10)19-17-13/h1-8H,(H,16,17,18).
What are the key properties of N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide?
N-(1,2-benzothiazol-3-yl)-2-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-(1,2-benzothiazol-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 156781454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).