6-prop-2-enoxy-1,2-benzothiazole

C10H9NOS — CID 19384361

IUPAC6-prop-2-enoxy-1,2-benzothiazole
SMILESC=CCOc1ccc2cnsc2c1
InChIInChI=1S/C10H9NOS/c1-2-5-12-9-4-3-8-7-11-13-10(8)6-9/h2-4,6-7H,1,5H2
InChIKeyFRQPTSKVYFZLMH-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.86
Rot. Bonds3

About 6-prop-2-enoxy-1,2-benzothiazole

6-prop-2-enoxy-1,2-benzothiazole (PubChem CID 19384361) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-prop-2-enoxy-1,2-benzothiazole.

Molecular Properties

Compound Name6-prop-2-enoxy-1,2-benzothiazole
PubChem CID19384361
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name6-prop-2-enoxy-1,2-benzothiazole
SMILESC=CCOc1ccc2cnsc2c1
InChIInChI=1S/C10H9NOS/c1-2-5-12-9-4-3-8-7-11-13-10(8)6-9/h2-4,6-7H,1,5H2
InChIKeyFRQPTSKVYFZLMH-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-prop-2-enoxy-1,2-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoxy-1,2-benzothiazole?
The IUPAC name of 6-prop-2-enoxy-1,2-benzothiazole (CID 19384361) is 6-prop-2-enoxy-1,2-benzothiazole.
What is the SMILES notation for 6-prop-2-enoxy-1,2-benzothiazole?
The canonical SMILES for 6-prop-2-enoxy-1,2-benzothiazole is C=CCOc1ccc2cnsc2c1.
What is the InChIKey of 6-prop-2-enoxy-1,2-benzothiazole?
The InChIKey is FRQPTSKVYFZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-2-5-12-9-4-3-8-7-11-13-10(8)6-9/h2-4,6-7H,1,5H2.
What are the key properties of 6-prop-2-enoxy-1,2-benzothiazole?
6-prop-2-enoxy-1,2-benzothiazole has a molecular weight of 191.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxy-1,2-benzothiazole is sourced from PubChem (CID 19384361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).