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

C12H17N3OS — CID 105206383

IUPAC[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
SMILESCOCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C12H17N3OS/c1-16-7-6-9(15-13)8-12-14-10-4-2-3-5-11(10)17-12/h2-5,9,15H,6-8,13H2,1H3
InChIKeyPNNXGYXLTWLOJZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.71
Rot. Bonds6

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

[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine (PubChem CID 105206383) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
PubChem CID105206383
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
SMILESCOCCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C12H17N3OS/c1-16-7-6-9(15-13)8-12-14-10-4-2-3-5-11(10)17-12/h2-5,9,15H,6-8,13H2,1H3
InChIKeyPNNXGYXLTWLOJZ-UHFFFAOYSA-N
XLogP1.71
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.71
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

[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)-5-ethoxypentan-2-yl]hydrazine
CID 105325091
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
[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)-3-(2-methoxyethylamino)propan-2-ol
CID 79818238
[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273449
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
[2-(1,3-benzothiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105325144
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine (CID 105206383) is [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine is COCCC(Cc1nc2ccccc2s1)NN.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine?
The InChIKey is PNNXGYXLTWLOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-16-7-6-9(15-13)8-12-14-10-4-2-3-5-11(10)17-12/h2-5,9,15H,6-8,13H2,1H3.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine?
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine has a molecular weight of 251.35 g/mol, XLogP of 1.71, 6 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-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105206383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).