(4-ethoxy-1,3-benzothiazol-2-yl)hydrazine

C9H11N3OS — CID 2049835

IUPAC(4-ethoxy-1,3-benzothiazol-2-yl)hydrazine
SMILESCCOc1cccc2sc(NN)nc12
InChIInChI=1S/C9H11N3OS/c1-2-13-6-4-3-5-7-8(6)11-9(12-10)14-7/h3-5H,2,10H2,1H3,(H,11,12)
InChIKeyJMUUSQSFBDDCHL-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.98
Rot. Bonds3

About (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine

(4-ethoxy-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 2049835) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4-ethoxy-1,3-benzothiazol-2-yl)hydrazine
PubChem CID2049835
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(4-ethoxy-1,3-benzothiazol-2-yl)hydrazine
SMILESCCOc1cccc2sc(NN)nc12
InChIInChI=1S/C9H11N3OS/c1-2-13-6-4-3-5-7-8(6)11-9(12-10)14-7/h3-5H,2,10H2,1H3,(H,11,12)
InChIKeyJMUUSQSFBDDCHL-UHFFFAOYSA-N
XLogP1.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine (CID 2049835) is (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine is CCOc1cccc2sc(NN)nc12.
What is the InChIKey of (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is JMUUSQSFBDDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-13-6-4-3-5-7-8(6)11-9(12-10)14-7/h3-5H,2,10H2,1H3,(H,11,12).
What are the key properties of (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine?
(4-ethoxy-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 209.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 2049835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).