[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine

C16H21N3S — CID 105270009

IUPAC[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
SMILESNNC(CC1=CCCCC1)Cc1nc2ccccc2s1
InChIInChI=1S/C16H21N3S/c17-19-13(10-12-6-2-1-3-7-12)11-16-18-14-8-4-5-9-15(14)20-16/h4-6,8-9,13,19H,1-3,7,10-11,17H2
InChIKeyOYKBVHHUISIDJW-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.56
Rot. Bonds5

About [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine

[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine (PubChem CID 105270009) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
PubChem CID105270009
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
SMILESNNC(CC1=CCCCC1)Cc1nc2ccccc2s1
InChIInChI=1S/C16H21N3S/c17-19-13(10-12-6-2-1-3-7-12)11-16-18-14-8-4-5-9-15(14)20-16/h4-6,8-9,13,19H,1-3,7,10-11,17H2
InChIKeyOYKBVHHUISIDJW-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methoxybutan-2-yl]hydrazine
CID 105206383
[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)-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)-5-ethoxypentan-2-yl]hydrazine
CID 105325091
[1-(cyclohexen-1-yl)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105269865
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273449
(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8693569
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine (CID 105270009) is [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine is NNC(CC1=CCCCC1)Cc1nc2ccccc2s1.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine?
The InChIKey is OYKBVHHUISIDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-19-13(10-12-6-2-1-3-7-12)11-16-18-14-8-4-5-9-15(14)20-16/h4-6,8-9,13,19H,1-3,7,10-11,17H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine?
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine has a molecular weight of 287.43 g/mol, XLogP of 3.56, 5 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)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105270009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).