2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide

C13H9FN4OS — CID 116813293

IUPAC2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3cccc(F)n3)cc2s1
InChIInChI=1S/C13H9FN4OS/c14-10-2-1-3-11(17-10)18-12(19)7-4-5-8-9(6-7)20-13(15)16-8/h1-6H,(H2,15,16)(H,17,18,19)
InChIKeyKVJRGCICVWXWCE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.66
Rot. Bonds2

About 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 116813293) has the molecular formula C13H9FN4OS and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
PubChem CID116813293
Molecular FormulaC13H9FN4OS
Molecular Weight288.31 g/mol
Exact Mass288.05
IUPAC Name2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3cccc(F)n3)cc2s1
InChIInChI=1S/C13H9FN4OS/c14-10-2-1-3-11(17-10)18-12(19)7-4-5-8-9(6-7)20-13(15)16-8/h1-6H,(H2,15,16)(H,17,18,19)
InChIKeyKVJRGCICVWXWCE-UHFFFAOYSA-N
XLogP2.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349486
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451251
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide (CID 116813293) is 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)Nc3cccc(F)n3)cc2s1.
What is the InChIKey of 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is KVJRGCICVWXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4OS/c14-10-2-1-3-11(17-10)18-12(19)7-4-5-8-9(6-7)20-13(15)16-8/h1-6H,(H2,15,16)(H,17,18,19).
What are the key properties of 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 116813293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).