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

C13H19N3OS — CID 105325137

IUPAC[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C13H19N3OS/c1-2-17-8-7-10(16-14)9-13-15-11-5-3-4-6-12(11)18-13/h3-6,10,16H,2,7-9,14H2,1H3
InChIKeyPEFXBXOCFZFZMH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.10
Rot. Bonds7

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

[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine (PubChem CID 105325137) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
PubChem CID105325137
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C13H19N3OS/c1-2-17-8-7-10(16-14)9-13-15-11-5-3-4-6-12(11)18-13/h3-6,10,16H,2,7-9,14H2,1H3
InChIKeyPEFXBXOCFZFZMH-UHFFFAOYSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.10
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)-5-ethoxypentan-2-yl]hydrazine
CID 105325091
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
[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
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
CID 105270009
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
1-(1,3-benzothiazol-2-yl)-3-propoxypropan-2-amine
CID 79818856
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxypropan-1-amine
CID 60672423
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)-4-ethoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine (CID 105325137) is [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine is CCOCCC(Cc1nc2ccccc2s1)NN.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
The InChIKey is PEFXBXOCFZFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-17-8-7-10(16-14)9-13-15-11-5-3-4-6-12(11)18-13/h3-6,10,16H,2,7-9,14H2,1H3.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine?
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine has a molecular weight of 265.38 g/mol, XLogP of 2.10, 7 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)-4-ethoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105325137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).