N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide

C14H9FN2OS — CID 712467

IUPACN-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2ncsc2c1
InChIInChI=1S/C14H9FN2OS/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyTXEXFNCTPFXNQL-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

About N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide

N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 712467) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID712467
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2ncsc2c1
InChIInChI=1S/C14H9FN2OS/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyTXEXFNCTPFXNQL-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-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide (CID 712467) is N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1F)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is TXEXFNCTPFXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18).
What are the key properties of N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide 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-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 712467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).