[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine

C12H21N3S — CID 105232079

IUPAC[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)C1CCCCCC1
InChIInChI=1S/C12H21N3S/c13-15-11(9-12-14-7-8-16-12)10-5-3-1-2-4-6-10/h7-8,10-11,15H,1-6,9,13H2
InChIKeyRQQSQZPCZWUVLE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds4

About [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine

[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105232079) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105232079
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)C1CCCCCC1
InChIInChI=1S/C12H21N3S/c13-15-11(9-12-14-7-8-16-12)10-5-3-1-2-4-6-10/h7-8,10-11,15H,1-6,9,13H2
InChIKeyRQQSQZPCZWUVLE-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine (CID 105232079) is [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine is NNC(Cc1nccs1)C1CCCCCC1.
What is the InChIKey of [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is RQQSQZPCZWUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c13-15-11(9-12-14-7-8-16-12)10-5-3-1-2-4-6-10/h7-8,10-11,15H,1-6,9,13H2.
What are the key properties of [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105232079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).