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

C13H7F2N3OS — CID 2474590

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1
InChIInChI=1S/C13H7F2N3OS/c14-7-5-8(15)11-10(6-7)20-13(17-11)18-12(19)9-3-1-2-4-16-9/h1-6H,(H,17,18,19)
InChIKeyDGGAJGHSEZTQRX-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.22
Rot. Bonds2

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 2474590) has the molecular formula C13H7F2N3OS and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID2474590
Molecular FormulaC13H7F2N3OS
Molecular Weight291.28 g/mol
Exact Mass291.03
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1
InChIInChI=1S/C13H7F2N3OS/c14-7-5-8(15)11-10(6-7)20-13(17-11)18-12(19)9-3-1-2-4-16-9/h1-6H,(H,17,18,19)
InChIKeyDGGAJGHSEZTQRX-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 2474590) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is DGGAJGHSEZTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3OS/c14-7-5-8(15)11-10(6-7)20-13(17-11)18-12(19)9-3-1-2-4-16-9/h1-6H,(H,17,18,19).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2474590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).