2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol

C9H14N2O2S — CID 163579006

IUPAC2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol
SMILESCCOC1(O)CCc2nc(N)sc2C1
InChIInChI=1S/C9H14N2O2S/c1-2-13-9(12)4-3-6-7(5-9)14-8(10)11-6/h12H,2-5H2,1H3,(H2,10,11)
InChIKeyGFYGLWRBHGAVCS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol

2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol (PubChem CID 163579006) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol
PubChem CID163579006
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol
SMILESCCOC1(O)CCc2nc(N)sc2C1
InChIInChI=1S/C9H14N2O2S/c1-2-13-9(12)4-3-6-7(5-9)14-8(10)11-6/h12H,2-5H2,1H3,(H2,10,11)
InChIKeyGFYGLWRBHGAVCS-UHFFFAOYSA-N
XLogP0.94
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol?
The IUPAC name of 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol (CID 163579006) is 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol is CCOC1(O)CCc2nc(N)sc2C1.
What is the InChIKey of 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol?
The InChIKey is GFYGLWRBHGAVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-13-9(12)4-3-6-7(5-9)14-8(10)11-6/h12H,2-5H2,1H3,(H2,10,11).
What are the key properties of 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol?
2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol has a molecular weight of 214.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol is sourced from PubChem (CID 163579006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).