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

C13H8FN3O2S — CID 75154398

IUPAC4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1cc(F)ccn1
InChIInChI=1S/C13H8FN3O2S/c14-7-3-4-15-10(5-7)12(19)17-13-16-9-2-1-8(18)6-11(9)20-13/h1-6,18H,(H,16,17,19)
InChIKeyUBCPYXZJVIQMOF-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.79
Rot. Bonds2

About 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 75154398) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID75154398
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(O)cc2s1)c1cc(F)ccn1
InChIInChI=1S/C13H8FN3O2S/c14-7-3-4-15-10(5-7)12(19)17-13-16-9-2-1-8(18)6-11(9)20-13/h1-6,18H,(H,16,17,19)
InChIKeyUBCPYXZJVIQMOF-UHFFFAOYSA-N
XLogP2.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62238142
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 18126537
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 75154398) is 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nc2ccc(O)cc2s1)c1cc(F)ccn1.
What is the InChIKey of 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UBCPYXZJVIQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-7-3-4-15-10(5-7)12(19)17-13-16-9-2-1-8(18)6-11(9)20-13/h1-6,18H,(H,16,17,19).
What are the key properties of 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 75154398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).