[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine

C11H12IN3S — CID 105254388

IUPAC[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1cscn1
InChIInChI=1S/C11H12IN3S/c12-9-3-1-8(2-4-9)5-10(15-13)11-6-16-7-14-11/h1-4,6-7,10,15H,5,13H2
InChIKeyQYADDGQDXFOEAT-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.49
Rot. Bonds4

About [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine

[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105254388) has the molecular formula C11H12IN3S and a molecular weight of 345.21 g/mol. Its IUPAC name is [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105254388
Molecular FormulaC11H12IN3S
Molecular Weight345.21 g/mol
Exact Mass344.98
IUPAC Name[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1cscn1
InChIInChI=1S/C11H12IN3S/c12-9-3-1-8(2-4-9)5-10(15-13)11-6-16-7-14-11/h1-4,6-7,10,15H,5,13H2
InChIKeyQYADDGQDXFOEAT-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 ≤ 500345.21
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine (CID 105254388) is [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)c1cscn1.
What is the InChIKey of [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is QYADDGQDXFOEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3S/c12-9-3-1-8(2-4-9)5-10(15-13)11-6-16-7-14-11/h1-4,6-7,10,15H,5,13H2.
What are the key properties of [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine?
[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 345.21 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 [2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105254388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).