2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C11H17NO2S — CID 106815184

IUPAC2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCOCCc1nc2c(s1)CCCC2O
InChIInChI=1S/C11H17NO2S/c1-2-14-7-6-10-12-11-8(13)4-3-5-9(11)15-10/h8,13H,2-7H2,1H3
InChIKeyFFGITULGYIKXIG-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.09
Rot. Bonds4

About 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 106815184) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID106815184
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCOCCc1nc2c(s1)CCCC2O
InChIInChI=1S/C11H17NO2S/c1-2-14-7-6-10-12-11-8(13)4-3-5-9(11)15-10/h8,13H,2-7H2,1H3
InChIKeyFFGITULGYIKXIG-UHFFFAOYSA-N
XLogP2.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 106815184) is 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCOCCc1nc2c(s1)CCCC2O.
What is the InChIKey of 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is FFGITULGYIKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-14-7-6-10-12-11-8(13)4-3-5-9(11)15-10/h8,13H,2-7H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 227.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 106815184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).