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

C13H8FN3OS — CID 2114872

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccccn1
InChIInChI=1S/C13H8FN3OS/c14-8-4-5-9-11(7-8)19-13(16-9)17-12(18)10-3-1-2-6-15-10/h1-7H,(H,16,17,18)
InChIKeySZZMIYAAGIQGBO-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.08
Rot. Bonds2

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

N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 2114872) has the molecular formula C13H8FN3OS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID2114872
Molecular FormulaC13H8FN3OS
Molecular Weight273.29 g/mol
Exact Mass273.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccccn1
InChIInChI=1S/C13H8FN3OS/c14-8-4-5-9-11(7-8)19-13(16-9)17-12(18)10-3-1-2-6-15-10/h1-7H,(H,16,17,18)
InChIKeySZZMIYAAGIQGBO-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 958632
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 2091523
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4782304
2-Amino-benzothiazole-6-carboxylic acid (3-methyl-pyridin-2-yl)-amide
CID 652148
N-(1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 1752111

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 2114872) is N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nc2ccc(F)cc2s1)c1ccccn1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is SZZMIYAAGIQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS/c14-8-4-5-9-11(7-8)19-13(16-9)17-12(18)10-3-1-2-6-15-10/h1-7H,(H,16,17,18).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2114872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).