1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine

C13H19N3S — CID 105245702

IUPAC1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
SMILESCCCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C13H19N3S/c1-2-3-6-10(16-14)9-13-15-11-7-4-5-8-12(11)17-13/h4-5,7-8,10,16H,2-3,6,9,14H2,1H3
InChIKeyGUHUHYPHOHYMDU-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.86
Rot. Bonds6

About 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine

1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine (PubChem CID 105245702) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
PubChem CID105245702
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
SMILESCCCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C13H19N3S/c1-2-3-6-10(16-14)9-13-15-11-7-4-5-8-12(11)17-13/h4-5,7-8,10,16H,2-3,6,9,14H2,1H3
InChIKeyGUHUHYPHOHYMDU-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
CID 105325091
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
CID 105226468
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(2-chloroheptyl)-1,3-benzothiazole
CID 66459330
2-[2-(pyrimidin-2-ylmethyl)hexyl]-1,3-benzothiazole
CID 57032536
[1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214676
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
CID 105270009

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine (CID 105245702) is 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine is CCCCC(Cc1nc2ccccc2s1)NN.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine?
The InChIKey is GUHUHYPHOHYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-2-3-6-10(16-14)9-13-15-11-7-4-5-8-12(11)17-13/h4-5,7-8,10,16H,2-3,6,9,14H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine?
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine has a molecular weight of 249.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine is sourced from PubChem (CID 105245702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).