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

Name: 6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₆N₂O₂S — CID 155546195

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID	155546195
Molecular Formula	C₂₀H₁₆N₂O₂S
Molecular Weight	348.43 g/mol
Exact Mass	348.09
IUPAC Name	6-methoxy-2-[2-(4-methoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILES	COc1ccc(-c2ncccc2-c2nc3ccc(OC)cc3s2)cc1
InChI	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
InChIKey	CXKMWYKBIHCHGH-UHFFFAOYSA-N
XLogP	5.04
TPSA	44.24 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 155546195 — identifiers, structure, computed properties (public domain)

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