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

C13H9N3OS — CID 4908266

IUPAC2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C13H9N3OS/c14-12(17)8-4-3-7-15-11(8)13-16-9-5-1-2-6-10(9)18-13/h1-7H,(H2,14,17)
InChIKeySCAOKLNDNGEZIC-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.46
Rot. Bonds2

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

2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 4908266) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID4908266
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C13H9N3OS/c14-12(17)8-4-3-7-15-11(8)13-16-9-5-1-2-6-10(9)18-13/h1-7H,(H2,14,17)
InChIKeySCAOKLNDNGEZIC-UHFFFAOYSA-N
XLogP2.46
TPSA68.87 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 4908266) is 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is NC(=O)c1cccnc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SCAOKLNDNGEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c14-12(17)8-4-3-7-15-11(8)13-16-9-5-1-2-6-10(9)18-13/h1-7H,(H2,14,17).
What are the key properties of 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4908266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).