6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole

C14H12N2OS — CID 56702244

IUPAC6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole
SMILESCCOc1ncccc1-c1ccc2ncsc2c1
InChIInChI=1S/C14H12N2OS/c1-2-17-14-11(4-3-7-15-14)10-5-6-12-13(8-10)18-9-16-12/h3-9H,2H2,1H3
InChIKeyACECGNAQPNZKEB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.76
Rot. Bonds3

About 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole

6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole (PubChem CID 56702244) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole
PubChem CID56702244
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole
SMILESCCOc1ncccc1-c1ccc2ncsc2c1
InChIInChI=1S/C14H12N2OS/c1-2-17-14-11(4-3-7-15-14)10-5-6-12-13(8-10)18-9-16-12/h3-9H,2H2,1H3
InChIKeyACECGNAQPNZKEB-UHFFFAOYSA-N
XLogP3.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole (CID 56702244) is 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole is CCOc1ncccc1-c1ccc2ncsc2c1.
What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole?
The InChIKey is ACECGNAQPNZKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-17-14-11(4-3-7-15-14)10-5-6-12-13(8-10)18-9-16-12/h3-9H,2H2,1H3.
What are the key properties of 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole?
6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole has a molecular weight of 256.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-3-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 56702244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).