N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide

C13H10N4S — CID 54598241

IUPACN'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide
SMILESN/C(=N\c1nc2ccccc2s1)c1ccccn1
InChIInChI=1S/C13H10N4S/c14-12(10-6-3-4-8-15-10)17-13-16-9-5-1-2-7-11(9)18-13/h1-8H,(H2,14,16,17)
InChIKeyXKJIZJSDCSKTJB-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.73
Rot. Bonds2

About N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide

N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide (PubChem CID 54598241) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide
PubChem CID54598241
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC NameN'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide
SMILESN/C(=N\c1nc2ccccc2s1)c1ccccn1
InChIInChI=1S/C13H10N4S/c14-12(10-6-3-4-8-15-10)17-13-16-9-5-1-2-7-11(9)18-13/h1-8H,(H2,14,16,17)
InChIKeyXKJIZJSDCSKTJB-UHFFFAOYSA-N
XLogP2.73
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-2-methylpyridine-4-carboximidamide
CID 158774476
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-4-methoxybenzenecarboximidamide
CID 155144447
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3,5-dichloropyridine-2-carboximidamide
CID 155144509
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzenecarboximidamide
CID 155144515
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-bromobenzenecarboximidamide
CID 155144400
N'-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-prop-1-en-2-ylbenzenecarboximidamide
CID 159280923
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
1,3-benzothiazol-2-ylmethyl pyridine-2-carboxylate
CID 2624494
2-N'-(1,3-benzothiazol-2-yl)-6-chloropyridine-2,3-dicarboximidamide
CID 155621182
N'-aminopyridine-2-carboximidamide
CID 5464234
2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-pyridin-2-ylprop-2-enenitrile
CID 5124444
[(E)-1,3-benzothiazol-2-yldiazenyl]thiourea
CID 19154564

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide (CID 54598241) is N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide is N/C(=N\c1nc2ccccc2s1)c1ccccn1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide?
The InChIKey is XKJIZJSDCSKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c14-12(10-6-3-4-8-15-10)17-13-16-9-5-1-2-7-11(9)18-13/h1-8H,(H2,14,16,17).
What are the key properties of N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide?
N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide has a molecular weight of 254.32 g/mol, XLogP of 2.73, 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-2-carboximidamide is sourced from PubChem (CID 54598241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).