[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine

C13H12N4S — CID 102825319

IUPAC[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine
SMILESNNc1ccnc(Cc2nc3ccccc3s2)c1
InChIInChI=1S/C13H12N4S/c14-17-9-5-6-15-10(7-9)8-13-16-11-3-1-2-4-12(11)18-13/h1-7H,8,14H2,(H,15,17)
InChIKeyFKXCREHEWWOZBB-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.57
Rot. Bonds3

About [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine

[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine (PubChem CID 102825319) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine
PubChem CID102825319
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine
SMILESNNc1ccnc(Cc2nc3ccccc3s2)c1
InChIInChI=1S/C13H12N4S/c14-17-9-5-6-15-10(7-9)8-13-16-11-3-1-2-4-12(11)18-13/h1-7H,8,14H2,(H,15,17)
InChIKeyFKXCREHEWWOZBB-UHFFFAOYSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 155811809
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
CID 79818659
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine
CID 79818277
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
2-ethyl-1,3-benzothiazole
CID 123878265
2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79818452
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181
3-(1,3-benzothiazol-2-ylmethyl)-5-methylaniline
CID 107579603
3-(1,3-benzothiazol-2-ylmethyl)-5-fluorophenol
CID 83129856

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine?
The IUPAC name of [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine (CID 102825319) is [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine is NNc1ccnc(Cc2nc3ccccc3s2)c1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine?
The InChIKey is FKXCREHEWWOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-17-9-5-6-15-10(7-9)8-13-16-11-3-1-2-4-12(11)18-13/h1-7H,8,14H2,(H,15,17).
What are the key properties of [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine?
[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine has a molecular weight of 256.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine is sourced from PubChem (CID 102825319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).