6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole

C20H16N2O2S — CID 155546195

IUPAC6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCOc1ccc(-c2ncccc2-c2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C20H16N2O2S/c1-23-14-7-5-13(6-8-14)19-16(4-3-11-21-19)20-22-17-10-9-15(24-2)12-18(17)25-20/h3-12H,1-2H3
InChIKeyCXKMWYKBIHCHGH-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.04
Rot. Bonds4

About 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole

6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 155546195) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID155546195
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCOc1ccc(-c2ncccc2-c2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C20H16N2O2S/c1-23-14-7-5-13(6-8-14)19-16(4-3-11-21-19)20-22-17-10-9-15(24-2)12-18(17)25-20/h3-12H,1-2H3
InChIKeyCXKMWYKBIHCHGH-UHFFFAOYSA-N
XLogP5.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole (CID 155546195) is 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole is COc1ccc(-c2ncccc2-c2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is CXKMWYKBIHCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-23-14-7-5-13(6-8-14)19-16(4-3-11-21-19)20-22-17-10-9-15(24-2)12-18(17)25-20/h3-12H,1-2H3.
What are the key properties of 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 348.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 155546195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).