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

C15H23N3OS — CID 105273449

IUPAC[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
SMILESCOC(C(Cc1nc2ccccc2s1)NN)C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-15(2,3)14(19-4)11(18-16)9-13-17-10-7-5-6-8-12(10)20-13/h5-8,11,14,18H,9,16H2,1-4H3
InChIKeyYGMGGSWBYDOVIX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.73
Rot. Bonds5

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

[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine (PubChem CID 105273449) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
PubChem CID105273449
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
SMILESCOC(C(Cc1nc2ccccc2s1)NN)C(C)(C)C
InChIInChI=1S/C15H23N3OS/c1-15(2,3)14(19-4)11(18-16)9-13-17-10-7-5-6-8-12(10)20-13/h5-8,11,14,18H,9,16H2,1-4H3
InChIKeyYGMGGSWBYDOVIX-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.73
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)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713364
[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
3-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79819111
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine
CID 104631810
[2-(1,3-benzothiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105325144
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
2-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66460253
[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-methylbutan-2-ol
CID 11806254

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine (CID 105273449) is [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine is COC(C(Cc1nc2ccccc2s1)NN)C(C)(C)C.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine?
The InChIKey is YGMGGSWBYDOVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2,3)14(19-4)11(18-16)9-13-17-10-7-5-6-8-12(10)20-13/h5-8,11,14,18H,9,16H2,1-4H3.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine?
[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine has a molecular weight of 293.44 g/mol, XLogP of 2.73, 5 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)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105273449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).