[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine

C14H21N3OS — CID 105325091

IUPAC[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
SMILESCCOCCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C14H21N3OS/c1-2-18-9-5-6-11(17-15)10-14-16-12-7-3-4-8-13(12)19-14/h3-4,7-8,11,17H,2,5-6,9-10,15H2,1H3
InChIKeyLVFYFEIMTDVHMH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.49
Rot. Bonds8

About [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine

[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine (PubChem CID 105325091) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
PubChem CID105325091
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
SMILESCCOCCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C14H21N3OS/c1-2-18-9-5-6-11(17-15)10-14-16-12-7-3-4-8-13(12)19-14/h3-4,7-8,11,17H,2,5-6,9-10,15H2,1H3
InChIKeyLVFYFEIMTDVHMH-UHFFFAOYSA-N
XLogP2.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxypropan-1-amine
CID 60672423
[1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214676
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
CID 105226468
(5-ethoxy-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315317
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
CID 105270009
1-(1,3-benzothiazol-2-yl)-3-propoxypropan-2-amine
CID 79818856
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine (CID 105325091) is [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine is CCOCCCC(Cc1nc2ccccc2s1)NN.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine?
The InChIKey is LVFYFEIMTDVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-18-9-5-6-11(17-15)10-14-16-12-7-3-4-8-13(12)19-14/h3-4,7-8,11,17H,2,5-6,9-10,15H2,1H3.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine?
[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine has a molecular weight of 279.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105325091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).