2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol

C14H12N2O2S — CID 24804240

IUPAC2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol
SMILESCCOc1ccc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C14H12N2O2S/c1-2-18-13-6-3-9(8-15-13)14-16-11-5-4-10(17)7-12(11)19-14/h3-8,17H,2H2,1H3
InChIKeyTZVJUDPGEZYQFH-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.46
Rot. Bonds3

About 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol

2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol (PubChem CID 24804240) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol
PubChem CID24804240
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol
SMILESCCOc1ccc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C14H12N2O2S/c1-2-18-13-6-3-9(8-15-13)14-16-11-5-4-10(17)7-12(11)19-14/h3-8,17H,2H2,1H3
InChIKeyTZVJUDPGEZYQFH-UHFFFAOYSA-N
XLogP3.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol (CID 24804240) is 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol is CCOc1ccc(-c2nc3ccc(O)cc3s2)cn1.
What is the InChIKey of 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol?
The InChIKey is TZVJUDPGEZYQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-18-13-6-3-9(8-15-13)14-16-11-5-4-10(17)7-12(11)19-14/h3-8,17H,2H2,1H3.
What are the key properties of 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol?
2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol has a molecular weight of 272.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-pyridinyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 24804240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).