2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide

C13H9BrN4OS — CID 62153414

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H9BrN4OS/c14-7-5-8(11(15)16-6-7)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h1-6H,(H2,15,16)(H,17,18,19)
InChIKeyZEHGRUVPKMCVLG-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.29
Rot. Bonds2

About 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide

2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide (PubChem CID 62153414) has the molecular formula C13H9BrN4OS and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
PubChem CID62153414
Molecular FormulaC13H9BrN4OS
Molecular Weight349.21 g/mol
Exact Mass347.97
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H9BrN4OS/c14-7-5-8(11(15)16-6-7)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h1-6H,(H2,15,16)(H,17,18,19)
InChIKeyZEHGRUVPKMCVLG-UHFFFAOYSA-N
XLogP3.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
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2-amino-5-bromo-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62151599
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide (CID 62153414) is 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide?
The InChIKey is ZEHGRUVPKMCVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4OS/c14-7-5-8(11(15)16-6-7)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h1-6H,(H2,15,16)(H,17,18,19).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide?
2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide has a molecular weight of 349.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 62153414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).