[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine

C12H19N3S — CID 105324654

IUPAC[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)C1C2CCCCC21
InChIInChI=1S/C12H19N3S/c13-15-10(7-11-14-5-6-16-11)12-8-3-1-2-4-9(8)12/h5-6,8-10,12,15H,1-4,7,13H2
InChIKeyMOCZRIBSZDSVRO-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.95
Rot. Bonds4

About [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine

[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105324654) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105324654
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)C1C2CCCCC21
InChIInChI=1S/C12H19N3S/c13-15-10(7-11-14-5-6-16-11)12-8-3-1-2-4-9(8)12/h5-6,8-10,12,15H,1-4,7,13H2
InChIKeyMOCZRIBSZDSVRO-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.95
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-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine (CID 105324654) is [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine is NNC(Cc1nccs1)C1C2CCCCC21.
What is the InChIKey of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is MOCZRIBSZDSVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-15-10(7-11-14-5-6-16-11)12-8-3-1-2-4-9(8)12/h5-6,8-10,12,15H,1-4,7,13H2.
What are the key properties of [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 237.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).