[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine

C12H14N4S — CID 70422837

IUPAC[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
SMILESNN=C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C12H14N4S/c13-15-9-5-7-16(8-6-9)12-14-10-3-1-2-4-11(10)17-12/h1-4H,5-8,13H2
InChIKeyPULNKJBIVBVUJP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.21
Rot. Bonds1

About [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine

[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine (PubChem CID 70422837) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
PubChem CID70422837
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
SMILESNN=C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C12H14N4S/c13-15-9-5-7-16(8-6-9)12-14-10-3-1-2-4-11(10)17-12/h1-4H,5-8,13H2
InChIKeyPULNKJBIVBVUJP-UHFFFAOYSA-N
XLogP2.21
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 163344643
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
CID 7110142
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 133493120
3-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60869878
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine (CID 70422837) is [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine is NN=C1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine?
The InChIKey is PULNKJBIVBVUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-15-9-5-7-16(8-6-9)12-14-10-3-1-2-4-11(10)17-12/h1-4H,5-8,13H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine?
[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine has a molecular weight of 246.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine is sourced from PubChem (CID 70422837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).