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

C13H9N3OS — CID 790426

IUPACN-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccncc1
InChIInChI=1S/C13H9N3OS/c17-12(9-5-7-14-8-6-9)16-13-15-10-3-1-2-4-11(10)18-13/h1-8H,(H,15,16,17)
InChIKeyBHJQKJNYJSCDNW-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 790426) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID790426
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccncc1
InChIInChI=1S/C13H9N3OS/c17-12(9-5-7-14-8-6-9)16-13-15-10-3-1-2-4-11(10)18-13/h1-8H,(H,15,16,17)
InChIKeyBHJQKJNYJSCDNW-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 790426) is N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccncc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is BHJQKJNYJSCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-12(9-5-7-14-8-6-9)16-13-15-10-3-1-2-4-11(10)18-13/h1-8H,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 790426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).